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

C12H13N3O — CID 22103774

IUPACN,N-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C12H13N3O/c1-14(2)12(16)10-8-13-15(9-10)11-6-4-3-5-7-11/h3-9H,1-2H3
InChIKeyBQBYRIVPZQVJKH-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.57
Rot. Bonds2

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

N,N-dimethyl-1-phenylpyrazole-4-carboxamide (PubChem CID 22103774) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N,N-dimethyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-phenylpyrazole-4-carboxamide
PubChem CID22103774
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN,N-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C12H13N3O/c1-14(2)12(16)10-8-13-15(9-10)11-6-4-3-5-7-11/h3-9H,1-2H3
InChIKeyBQBYRIVPZQVJKH-UHFFFAOYSA-N
XLogP1.57
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-1-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

4-[methyl-(1-phenylpyrazole-4-carbonyl)amino]butanoic acid
CID 43090429
N-(2-bromopropyl)-N-methyl-1-phenylpyrazole-4-carboxamide
CID 80664984
2-[ethyl-(1-phenylpyrazole-4-carbonyl)amino]acetic acid
CID 61022217
N-methyl-N-[(2-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 18114053
1-phenylpyrazole-4-carbonyl iodide
CID 130257311
N-methyl-1-phenyl-N-piperidin-4-ylpyrazole-4-carboxamide
CID 43602271
N-(2-amino-2-hydroxyiminoethyl)-N-methyl-1-phenylpyrazole-4-carboxamide
CID 76929282
2,2-dimethyl-1-(1-phenylpyrazol-4-yl)propan-1-one
CID 14590777
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119655061
N-(2-aminoethyl)-N-ethyl-1-phenylpyrazole-4-carboxamide
CID 61348348
2-(1-phenylpyrazol-4-yl)but-2-enoic acid
CID 54092453
1-(1-phenylpyrazol-4-yl)butan-1-one
CID 43161927

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N,N-dimethyl-1-phenylpyrazole-4-carboxamide (CID 22103774) is N,N-dimethyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N,N-dimethyl-1-phenylpyrazole-4-carboxamide is CN(C)C(=O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N,N-dimethyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is BQBYRIVPZQVJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-14(2)12(16)10-8-13-15(9-10)11-6-4-3-5-7-11/h3-9H,1-2H3.
What are the key properties of N,N-dimethyl-1-phenylpyrazole-4-carboxamide?
N,N-dimethyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 215.26 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 22103774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).