4-amino-N-(5-chloro-2-methylphenyl)-1-methylpyrazole-5-carboxamide

C12H13ClN4O — CID 65356207

IUPAC4-amino-N-(5-chloro-2-methylphenyl)-1-methylpyrazole-5-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1c(N)cnn1C
InChIInChI=1S/C12H13ClN4O/c1-7-3-4-8(13)5-10(7)16-12(18)11-9(14)6-15-17(11)2/h3-6H,14H2,1-2H3,(H,16,18)
InChIKeyJJVISOQNDUTSTJ-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.22
Rot. Bonds2

About 4-amino-N-(5-chloro-2-methylphenyl)-1-methylpyrazole-5-carboxamide

4-amino-N-(5-chloro-2-methylphenyl)-1-methylpyrazole-5-carboxamide (PubChem CID 65356207) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 4-amino-N-(5-chloro-2-methylphenyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5-chloro-2-methylphenyl)-1-methylpyrazole-5-carboxamide
PubChem CID65356207
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name4-amino-N-(5-chloro-2-methylphenyl)-1-methylpyrazole-5-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1c(N)cnn1C
InChIInChI=1S/C12H13ClN4O/c1-7-3-4-8(13)5-10(7)16-12(18)11-9(14)6-15-17(11)2/h3-6H,14H2,1-2H3,(H,16,18)
InChIKeyJJVISOQNDUTSTJ-UHFFFAOYSA-N
XLogP2.22
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-fluoro-4-methylphenyl)-1-methylpyrazole-5-carboxamide
CID 65355912
4-amino-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide
CID 7017546
4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-5-carboxamide
CID 65359614
N-(2-amino-4-chlorophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 28776782
4-amino-N-(5-chloro-2-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81233570
N-(4-acetamido-3-chlorophenyl)-4-amino-1-methylpyrazole-5-carboxamide
CID 65355536
N-(2,5-dimethylphenyl)-4-iodo-1-methylpyrazole-5-carboxamide
CID 19476120
4-N,5-N-bis(2,5-dimethylphenyl)-1-methylpyrazole-4,5-dicarboxamide
CID 29096951
4-chloro-N-[5-chloro-2-(dimethylamino)phenyl]-1-methylpyrazole-5-carboxamide
CID 131932799
4-amino-1-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrazole-5-carboxamide
CID 65356006
4-amino-N-(2-bromo-5-chlorophenyl)-1-ethylpyrazole-5-carboxamide
CID 81262492
4-amino-1-methyl-N-(4-methyl-2-pyridinyl)pyrazole-5-carboxamide
CID 65355663

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-chloro-2-methylphenyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(5-chloro-2-methylphenyl)-1-methylpyrazole-5-carboxamide (CID 65356207) is 4-amino-N-(5-chloro-2-methylphenyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(5-chloro-2-methylphenyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(5-chloro-2-methylphenyl)-1-methylpyrazole-5-carboxamide is Cc1ccc(Cl)cc1NC(=O)c1c(N)cnn1C.
What is the InChIKey of 4-amino-N-(5-chloro-2-methylphenyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is JJVISOQNDUTSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-7-3-4-8(13)5-10(7)16-12(18)11-9(14)6-15-17(11)2/h3-6H,14H2,1-2H3,(H,16,18).
What are the key properties of 4-amino-N-(5-chloro-2-methylphenyl)-1-methylpyrazole-5-carboxamide?
4-amino-N-(5-chloro-2-methylphenyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 264.72 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-chloro-2-methylphenyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 65356207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).