(3R)-1-[(1,3-diphenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide

C21H22N4O — CID 94163079

IUPAC(3R)-1-[(1,3-diphenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCN(Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1
InChIInChI=1S/C21H22N4O/c22-21(26)17-11-12-24(13-17)14-18-15-25(19-9-5-2-6-10-19)23-20(18)16-7-3-1-4-8-16/h1-10,15,17H,11-14H2,(H2,22,26)/t17-/m1/s1
InChIKeyKXDLOYNDTUSQMH-QGZVFWFLSA-N
MW346.43 g/mol
LogP2.85
Rot. Bonds5

About (3R)-1-[(1,3-diphenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide

(3R)-1-[(1,3-diphenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 94163079) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is (3R)-1-[(1,3-diphenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(1,3-diphenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID94163079
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name(3R)-1-[(1,3-diphenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCN(Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1
InChIInChI=1S/C21H22N4O/c22-21(26)17-11-12-24(13-17)14-18-15-25(19-9-5-2-6-10-19)23-20(18)16-7-3-1-4-8-16/h1-10,15,17H,11-14H2,(H2,22,26)/t17-/m1/s1
InChIKeyKXDLOYNDTUSQMH-QGZVFWFLSA-N
XLogP2.85
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-[(1,3-diphenylpyrazol-4-yl)methyl]pyrrolidine-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

(3S)-1-[(1,3-diphenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 94163078
1-[[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine-3-carboxamide
CID 112796807
1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ylpiperidine
CID 45251638
4-[(1,3-diphenylpyrazol-4-yl)methyl]-N-ethylpiperazine-1-carboxamide
CID 78818653
1-[[2-(aminomethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 114081799
1-[[1-phenyl-3-(4-propan-2-yloxyphenyl)pyrazol-4-yl]methyl]azetidine-3-carboxylic acid
CID 122046778
N,N-diethyl-1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidine-4-carboxamide
CID 42473482
(2S)-N-cyclopropyl-2-[4-[(1,3-diphenylpyrazol-4-yl)methyl]piperazin-1-yl]propanamide
CID 30636587
1-[(1,3-diphenylpyrazol-4-yl)methyl]-3-pyrazolidin-3-ylpiperidine
CID 75099598
1-(cyclopropanecarbonyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 27864196
1-[(2-methoxy-4-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 75501255
1-[4-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]ethanone
CID 31310608

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1,3-diphenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-[(1,3-diphenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide (CID 94163079) is (3R)-1-[(1,3-diphenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(1,3-diphenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(1,3-diphenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide is NC(=O)[C@@H]1CCN(Cc2cn(-c3ccccc3)nc2-c2ccccc2)C1.
What is the InChIKey of (3R)-1-[(1,3-diphenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is KXDLOYNDTUSQMH-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H22N4O/c22-21(26)17-11-12-24(13-17)14-18-15-25(19-9-5-2-6-10-19)23-20(18)16-7-3-1-4-8-16/h1-10,15,17H,11-14H2,(H2,22,26)/t17-/m1/s1.
What are the key properties of (3R)-1-[(1,3-diphenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide?
(3R)-1-[(1,3-diphenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1,3-diphenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 94163079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).