4-cyano-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1H-pyrrole-2-carboxamide

C15H18N6O — CID 134706107

IUPAC4-cyano-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1H-pyrrole-2-carboxamide
SMILESCc1c(NC(=O)c2cc(C#N)c[nH]2)c(N2CCCC2)nn1C
InChIInChI=1S/C15H18N6O/c1-10-13(14(19-20(10)2)21-5-3-4-6-21)18-15(22)12-7-11(8-16)9-17-12/h7,9,17H,3-6H2,1-2H3,(H,18,22)
InChIKeyUMCJKKOZDGAZGL-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.78
Rot. Bonds3

About 4-cyano-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1H-pyrrole-2-carboxamide

4-cyano-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1H-pyrrole-2-carboxamide (PubChem CID 134706107) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 4-cyano-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-cyano-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1H-pyrrole-2-carboxamide
PubChem CID134706107
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name4-cyano-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1H-pyrrole-2-carboxamide
SMILESCc1c(NC(=O)c2cc(C#N)c[nH]2)c(N2CCCC2)nn1C
InChIInChI=1S/C15H18N6O/c1-10-13(14(19-20(10)2)21-5-3-4-6-21)18-15(22)12-7-11(8-16)9-17-12/h7,9,17H,3-6H2,1-2H3,(H,18,22)
InChIKeyUMCJKKOZDGAZGL-UHFFFAOYSA-N
XLogP1.78
TPSA89.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-cyano-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1H-pyrrole-2-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-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134707339
N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1-methyl-2-oxoquinoline-3-carboxamide
CID 134702251
methyl 4-[(4-cyanobenzoyl)amino]-1,5-dimethylpyrazole-3-carboxylate
CID 95748376
(4aR,6S,8aR)-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine-6-carboxamide;dihydrochloride
CID 163334928
4-cyano-N-(4-phenyl-1,2,4-triazol-3-yl)-1H-pyrrole-2-carboxamide
CID 75445109
4-cyano-N-[2-methyl-3-(thiomorpholin-4-ylmethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 122145471
4-cyano-N-[(2S)-2-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-1H-pyrrole-2-carboxamide
CID 97220649
4-cyano-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)-1H-pyrrole-2-carboxamide
CID 128967450
4-cyano-N-[2-(4-ethylpiperidin-1-yl)-5-(hydroxymethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 11484959
4-cyano-N-(2-hydroxy-5-methoxyphenyl)-1H-pyrrole-2-carboxamide
CID 71852535
4-cyano-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 128990717
3-amino-N-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 64524039

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-cyano-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1H-pyrrole-2-carboxamide (CID 134706107) is 4-cyano-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-cyano-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-cyano-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1H-pyrrole-2-carboxamide is Cc1c(NC(=O)c2cc(C#N)c[nH]2)c(N2CCCC2)nn1C.
What is the InChIKey of 4-cyano-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is UMCJKKOZDGAZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-10-13(14(19-20(10)2)21-5-3-4-6-21)18-15(22)12-7-11(8-16)9-17-12/h7,9,17H,3-6H2,1-2H3,(H,18,22).
What are the key properties of 4-cyano-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1H-pyrrole-2-carboxamide?
4-cyano-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(1,5-dimethyl-3-pyrrolidin-1-ylpyrazol-4-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 134706107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).