3-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide

C21H22N4O — CID 86871510

IUPAC3-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(Cn2cccn2)cc1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C21H22N4O/c26-21(24-14-11-19(16-24)18-5-2-1-3-6-18)23-20-9-7-17(8-10-20)15-25-13-4-12-22-25/h1-10,12-13,19H,11,14-16H2,(H,23,26)
InChIKeyOXPBXXAZBHCXIJ-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.95
Rot. Bonds4

About 3-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide

3-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 86871510) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide
PubChem CID86871510
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name3-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(Cn2cccn2)cc1)N1CCC(c2ccccc2)C1
InChIInChI=1S/C21H22N4O/c26-21(24-14-11-19(16-24)18-5-2-1-3-6-18)23-20-9-7-17(8-10-20)15-25-13-4-12-22-25/h1-10,12-13,19H,11,14-16H2,(H,23,26)
InChIKeyOXPBXXAZBHCXIJ-UHFFFAOYSA-N
XLogP3.95
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]piperidine-1-carboxamide
CID 95266842
4-(oxolane-2-carbonyl)-N-[4-(pyrazol-1-ylmethyl)phenyl]piperazine-1-carboxamide
CID 60591485
N-[4-(hydroxymethyl)phenyl]-3-phenylpiperidine-1-carboxamide
CID 166262555
(3R)-3-hydroxy-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 111431314
3-phenyl-N-[3-[(3-phenylpyrrolidine-1-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 5112154
1-cyclohexyl-3-[4-(pyrazol-1-ylmethyl)phenyl]urea
CID 60591547
N-(4-phenylcyclohexyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 55594865
3-(hydroxymethyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 111443078
N-(4-decoxyphenyl)-3-phenylpyrrolidine-1-carboxamide
CID 3108313
N-(3,4-dimethylphenyl)-3-phenylpyrrolidine-1-carboxamide
CID 5065354
(3S)-N-(1-benzylpyrazol-4-yl)-3-hydroxypyrrolidine-1-carboxamide
CID 111521201
4-oxo-4-[4-(pyrazol-1-ylmethyl)anilino]butanoic acid
CID 60933846

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide (CID 86871510) is 3-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide is O=C(Nc1ccc(Cn2cccn2)cc1)N1CCC(c2ccccc2)C1.
What is the InChIKey of 3-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is OXPBXXAZBHCXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c26-21(24-14-11-19(16-24)18-5-2-1-3-6-18)23-20-9-7-17(8-10-20)15-25-13-4-12-22-25/h1-10,12-13,19H,11,14-16H2,(H,23,26).
What are the key properties of 3-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide?
3-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 86871510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).