CS-0290879
N-Allyl-5-phenyl-1H-pyrazole-3-carboxamide
Manufacturer: ChemScene
CAS Number: 1027618-07-0
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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
C₁₃H₁₃N₃O
Molecular Weight
227.26
Synonyms
None
SMILES
O=C(C1=NNC(C2=CC=CC=C2)=C1)NCC=C
Tpsa
57.78
Logp
1.9925
H Acceptors
2
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: C₁₃H₁₃N₃O
Molecular Weight: 227.26
Synonyms: None
SMILES: O=C(C1=NNC(C2=CC=CC=C2)=C1)NCC=C
Tpsa: 57.78
Logp: 1.9925
H Acceptors: 2
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:
C₁₃H₁₃N₃O
Molecular Weight:
227.26
Synonyms:
None
SMILES:
O=C(C1=NNC(C2=CC=CC=C2)=C1)NCC=C
Tpsa:
57.78
Logp:
1.9925
H Acceptors:
2
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: C₉H₁₀N₄O₂
Molecular Weight: 206.20
Synonyms: INDEX NAME NOT YET ASSIGNED
SMILES: O=C(C1=NNC(C2=CN(CC)N=C2)=C1)O
Tpsa: 83.8
Logp: 0.9913
H Acceptors: 4
H Donors: 2
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:
C₉H₁₀N₄O₂
Molecular Weight:
206.20
Synonyms:
INDEX NAME NOT YET ASSIGNED
SMILES:
O=C(C1=NNC(C2=CN(CC)N=C2)=C1)O
Tpsa:
83.8
Logp:
0.9913
H Acceptors:
4
H Donors:
2
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: C₆H₈N₄O₃
Molecular Weight: 184.15
Synonyms: 3-ETHYL-4-NITRO-1H-PYRAZOLE-5-CARBOXAMIDE
SMILES: O=C(C1=NNC(CC)=C1[N+]([O-])=O)N
Tpsa: 114.91
Logp: -0.0208
H Acceptors: 4
H Donors: 2
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:
C₆H₈N₄O₃
Molecular Weight:
184.15
Synonyms:
3-ETHYL-4-NITRO-1H-PYRAZOLE-5-CARBOXAMIDE
SMILES:
O=C(C1=NNC(CC)=C1[N+]([O-])=O)N
Tpsa:
114.91
Logp:
-0.0208
H Acceptors:
4
H Donors:
2
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: C₇H₁₂N₄O₂
Molecular Weight: 184.20
Synonyms: 1H-1,2,4-Triazole-3-carboxylic acid, 5-amino-, 1,1-dimethylethyl ester
SMILES: O=C(C1=NNC(N)=N1)OC(C)(C)C
Tpsa: 93.89
Logp: 0.3422
H Acceptors: 5
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:
C₇H₁₂N₄O₂
Molecular Weight:
184.20
Synonyms:
1H-1,2,4-Triazole-3-carboxylic acid, 5-amino-, 1,1-dimethylethyl ester
SMILES:
O=C(C1=NNC(N)=N1)OC(C)(C)C
Tpsa:
93.89
Logp:
0.3422
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
1