5-chloro-N,1-dimethyl-3-phenylpyrazole-4-carboxamide

C12H12ClN3O — CID 3758412

IUPAC5-chloro-N,1-dimethyl-3-phenylpyrazole-4-carboxamide
SMILESCNC(=O)c1c(-c2ccccc2)nn(C)c1Cl
InChIInChI=1S/C12H12ClN3O/c1-14-12(17)9-10(15-16(2)11(9)13)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,17)
InChIKeyMAQVSTJPKRKWJV-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.10
Rot. Bonds2

About 5-chloro-N,1-dimethyl-3-phenylpyrazole-4-carboxamide

5-chloro-N,1-dimethyl-3-phenylpyrazole-4-carboxamide (PubChem CID 3758412) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 5-chloro-N,1-dimethyl-3-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N,1-dimethyl-3-phenylpyrazole-4-carboxamide
PubChem CID3758412
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name5-chloro-N,1-dimethyl-3-phenylpyrazole-4-carboxamide
SMILESCNC(=O)c1c(-c2ccccc2)nn(C)c1Cl
InChIInChI=1S/C12H12ClN3O/c1-14-12(17)9-10(15-16(2)11(9)13)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,17)
InChIKeyMAQVSTJPKRKWJV-UHFFFAOYSA-N
XLogP2.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)ethanone
CID 2763519
5-chloro-1-methyl-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]-3-phenylpyrazole-4-carboxamide
CID 3741847
N,5-dimethyl-1,3-diphenylpyrazole-4-carboxamide
CID 19473549
4-(4-chloro-1-methyl-5-phenylpyrazolo[3,4-c]pyridazin-3-yl)-N-methylbenzamide
CID 66576890
N,1-dimethyl-3-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 1484439
5-chloro-1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid
CID 175213535
5-benzamido-1-methyl-3-phenylpyrazole-4-carboxylic acid
CID 59608695
1-(5-chloro-1-methyl-3-phenylpyrazol-4-yl)propan-1-ol
CID 3756816
5-chloro-1,3-dimethyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)pyrazole-4-carboxamide
CID 11809256
(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl N-(4-chlorophenyl)carbamate
CID 1476568
N-(4-iodo-1-methyl-3-phenylpyrazol-5-yl)acetamide
CID 86717324
2-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methylsulfanyl]benzoic acid
CID 3652859

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,1-dimethyl-3-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N,1-dimethyl-3-phenylpyrazole-4-carboxamide (CID 3758412) is 5-chloro-N,1-dimethyl-3-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N,1-dimethyl-3-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N,1-dimethyl-3-phenylpyrazole-4-carboxamide is CNC(=O)c1c(-c2ccccc2)nn(C)c1Cl.
What is the InChIKey of 5-chloro-N,1-dimethyl-3-phenylpyrazole-4-carboxamide?
The InChIKey is MAQVSTJPKRKWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-14-12(17)9-10(15-16(2)11(9)13)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,17).
What are the key properties of 5-chloro-N,1-dimethyl-3-phenylpyrazole-4-carboxamide?
5-chloro-N,1-dimethyl-3-phenylpyrazole-4-carboxamide has a molecular weight of 249.70 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,1-dimethyl-3-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 3758412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).