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

C12H13N3O — CID 13031735

IUPAC1,5-dimethyl-N-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2)cnn1C
InChIInChI=1S/C12H13N3O/c1-9-11(8-13-15(9)2)12(16)14-10-6-4-3-5-7-10/h3-8H,1-2H3,(H,14,16)
InChIKeyMGGRAOFRAMMBQU-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.98
Rot. Bonds2

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

1,5-dimethyl-N-phenylpyrazole-4-carboxamide (PubChem CID 13031735) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 1,5-dimethyl-N-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-phenylpyrazole-4-carboxamide
PubChem CID13031735
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name1,5-dimethyl-N-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2)cnn1C
InChIInChI=1S/C12H13N3O/c1-9-11(8-13-15(9)2)12(16)14-10-6-4-3-5-7-10/h3-8H,1-2H3,(H,14,16)
InChIKeyMGGRAOFRAMMBQU-UHFFFAOYSA-N
XLogP1.98
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,5-dimethyl-N-phenylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-aminophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 28776770
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzenesulfonyl chloride
CID 43095846
2-chloro-4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzoic acid
CID 61398585
4-[(1,5-dimethylpyrazole-4-carbonyl)amino]pyridine-2-carboxylic acid
CID 55246685
5-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2,3-dimethylbenzoic acid
CID 63020357
N-dibenzofuran-2-yl-1,5-dimethylpyrazole-4-carboxamide
CID 17462774
N-[2-(chloromethyl)phenyl]-1,5-dimethylpyrazole-4-carboxamide
CID 114298281
N-(3-chloro-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 63935503
3-bromo-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzoic acid
CID 63113008
N-(3-amino-4-fluorophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 28776839
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1,5-dimethylpyrazole-4-carboxamide
CID 19474017
N-(4-cyano-1-phenylpyrazol-5-yl)-1,5-dimethylpyrazole-4-carboxamide
CID 19474111

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-phenylpyrazole-4-carboxamide?
The IUPAC name of 1,5-dimethyl-N-phenylpyrazole-4-carboxamide (CID 13031735) is 1,5-dimethyl-N-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-phenylpyrazole-4-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-phenylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccccc2)cnn1C.
What is the InChIKey of 1,5-dimethyl-N-phenylpyrazole-4-carboxamide?
The InChIKey is MGGRAOFRAMMBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-9-11(8-13-15(9)2)12(16)14-10-6-4-3-5-7-10/h3-8H,1-2H3,(H,14,16).
What are the key properties of 1,5-dimethyl-N-phenylpyrazole-4-carboxamide?
1,5-dimethyl-N-phenylpyrazole-4-carboxamide has a molecular weight of 215.26 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 13031735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).