CS-0554483
5-Amino-1-(2-cyanoethyl)-N-(3-(trifluoromethyl)phenyl)-1H-pyrazole-4-carboxamide
Manufacturer: ChemScene
CAS Number: 956042-52-7
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₄H₁₂F₃N₅O
Molecular Weight
323.27
Synonyms
None
SMILES
C1=CC(=CC(=C1)NC(=O)C2=C(N(N=C2)CCC#N)N)C(F)(F)F
Tpsa
96.73
Logp
2.65008
H Acceptors
5
H Donors
2
Rotatable Bonds
4
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SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₂F₃N₅O
Molecular Weight: 323.27
Synonyms: None
SMILES: C1=CC(=CC(=C1)NC(=O)C2=C(N(N=C2)CCC#N)N)C(F)(F)F
Tpsa: 96.73
Logp: 2.65008
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₂F₃N₅O
Molecular Weight:
323.27
Synonyms:
None
SMILES:
C1=CC(=CC(=C1)NC(=O)C2=C(N(N=C2)CCC#N)N)C(F)(F)F
Tpsa:
96.73
Logp:
2.65008
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₈H₁₆N₂O₂
Molecular Weight: 292.33
Synonyms: 3-(2H-1,3-benzodioxol-5-yl)-1-[(2-methylphenyl)methyl]-1H-pyrazole
SMILES: CC1=CC=CC=C1CN2C=CC(=N2)C3=CC4=C(C=C3)OCO4
Tpsa: 36.28
Logp: 3.63552
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₈H₁₆N₂O₂
Molecular Weight:
292.33
Synonyms:
3-(2H-1,3-benzodioxol-5-yl)-1-[(2-methylphenyl)methyl]-1H-pyrazole
SMILES:
CC1=CC=CC=C1CN2C=CC(=N2)C3=CC4=C(C=C3)OCO4
Tpsa:
36.28
Logp:
3.63552
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₇H₁₃FN₂O₂
Molecular Weight: 296.30
Synonyms: 3-(2H-1,3-benzodioxol-5-yl)-1-[(3-fluorophenyl)methyl]-1H-pyrazole
SMILES: FC1=CC(CN2N=C(C3=CC=C(OCO4)C4=C3)C=C2)=CC=C1
Tpsa: 36.28
Logp: 3.4662
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₇H₁₃FN₂O₂
Molecular Weight:
296.30
Synonyms:
3-(2H-1,3-benzodioxol-5-yl)-1-[(3-fluorophenyl)methyl]-1H-pyrazole
SMILES:
FC1=CC(CN2N=C(C3=CC=C(OCO4)C4=C3)C=C2)=CC=C1
Tpsa:
36.28
Logp:
3.4662
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₉F₆N₃O
Molecular Weight: 337.22
Synonyms: None
SMILES: CN1C=C(C(=N1)C(F)(F)F)C(=O)NC2=CC=CC(=C2)C(F)(F)F
Tpsa: 46.92
Logp: 3.71
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₉F₆N₃O
Molecular Weight:
337.22
Synonyms:
None
SMILES:
CN1C=C(C(=N1)C(F)(F)F)C(=O)NC2=CC=CC(=C2)C(F)(F)F
Tpsa:
46.92
Logp:
3.71
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2