CS-0682634
1-(1-Oxo-1,2-dihydroisoquinolin-5-yl)-5-(trifluoromethyl)-1h-pyrazole-4-carboxylic acid
Manufacturer: ChemScene
CAS Number: 2230278-22-3
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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
C₁₄H₈F₃N₃O₃
Molecular Weight
323.23
Synonyms
None
SMILES
O=C(C1=C(C(F)(F)F)N(C2=CC=CC3=C2C=CNC3=O)N=C1)O
Tpsa
87.98
Logp
2.4308
H Acceptors
4
H Donors
2
Rotatable Bonds
2
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: C₁₄H₈F₃N₃O₃
Molecular Weight: 323.23
Synonyms: None
SMILES: O=C(C1=C(C(F)(F)F)N(C2=CC=CC3=C2C=CNC3=O)N=C1)O
Tpsa: 87.98
Logp: 2.4308
H Acceptors: 4
H Donors: 2
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:
C₁₄H₈F₃N₃O₃
Molecular Weight:
323.23
Synonyms:
None
SMILES:
O=C(C1=C(C(F)(F)F)N(C2=CC=CC3=C2C=CNC3=O)N=C1)O
Tpsa:
87.98
Logp:
2.4308
H Acceptors:
4
H Donors:
2
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: C₁₃H₁₃BrO₂
Molecular Weight: 281.15
Synonyms: None
SMILES: C1C[C@]2(C[C@@H]1[C@H]2C(=O)O)C3=CC=C(C=C3)Br
Tpsa: 37.3
Logp: 3.2014
H Acceptors: 1
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:
C₁₃H₁₃BrO₂
Molecular Weight:
281.15
Synonyms:
None
SMILES:
C1C[C@]2(C[C@@H]1[C@H]2C(=O)O)C3=CC=C(C=C3)Br
Tpsa:
37.3
Logp:
3.2014
H Acceptors:
1
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: C₉H₁₆ClNO₃
Molecular Weight: 221.68
Synonyms: None
SMILES: CCOC(=O)C12CC(C1)(OC2)CN.Cl
Tpsa: 61.55
Logp: 0.4792
H Acceptors: 4
H Donors: 1
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:
C₉H₁₆ClNO₃
Molecular Weight:
221.68
Synonyms:
None
SMILES:
CCOC(=O)C12CC(C1)(OC2)CN.Cl
Tpsa:
61.55
Logp:
0.4792
H Acceptors:
4
H Donors:
1
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: C₅H₈ClN₃O₂S
Molecular Weight: 209.65
Synonyms: None
SMILES: C1=C(C=NC=C1S(=O)(=O)N)N.Cl
Tpsa: 99.07
Logp: -0.267
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅H₈ClN₃O₂S
Molecular Weight:
209.65
Synonyms:
None
SMILES:
C1=C(C=NC=C1S(=O)(=O)N)N.Cl
Tpsa:
99.07
Logp:
-0.267
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
1