1-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3-carboxamide

C16H18N4O2 — CID 169248379

IUPAC1-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)n1
InChIInChI=1S/C16H18N4O2/c1-19-11-8-14(18-19)15(21)17-13-6-4-12(5-7-13)16(22)20-9-2-3-10-20/h4-8,11H,2-3,9-10H2,1H3,(H,17,21)
InChIKeyTXCOUQBMFZNAOQ-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.91
Rot. Bonds3

About 1-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3-carboxamide

1-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3-carboxamide (PubChem CID 169248379) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3-carboxamide
PubChem CID169248379
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name1-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)n1
InChIInChI=1S/C16H18N4O2/c1-19-11-8-14(18-19)15(21)17-13-6-4-12(5-7-13)16(22)20-9-2-3-10-20/h4-8,11H,2-3,9-10H2,1H3,(H,17,21)
InChIKeyTXCOUQBMFZNAOQ-UHFFFAOYSA-N
XLogP1.91
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3-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

1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721
(1-methylpyrazol-3-yl)-piperidin-1-ylmethanone
CID 19577577
N-[4-(azepane-1-carbonyl)phenyl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 75475339
N-[4-(dimethylamino)phenyl]-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044347
6-[[4-(azepane-1-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119181942
N-[4-(azepane-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 17199064
N-(4-tert-butylphenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044308
5-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 46327470
N-[4-(azepane-1-carbonyl)phenyl]benzamide
CID 17153241
3,5-dichloro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 26167664
N-(3,4-dichlorophenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044373
N-phenyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044285

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3-carboxamide (CID 169248379) is 1-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3-carboxamide is Cn1ccc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)n1.
What is the InChIKey of 1-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is TXCOUQBMFZNAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-19-11-8-14(18-19)15(21)17-13-6-4-12(5-7-13)16(22)20-9-2-3-10-20/h4-8,11H,2-3,9-10H2,1H3,(H,17,21).
What are the key properties of 1-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3-carboxamide?
1-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 169248379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).