2-benzyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrrolidine-1-carboxamide

C22H24N4O — CID 86967097

IUPAC2-benzyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrrolidine-1-carboxamide
SMILESO=C(NCc1cccc(-n2cccn2)c1)N1CCCC1Cc1ccccc1
InChIInChI=1S/C22H24N4O/c27-22(25-13-5-11-20(25)15-18-7-2-1-3-8-18)23-17-19-9-4-10-21(16-19)26-14-6-12-24-26/h1-4,6-10,12,14,16,20H,5,11,13,15,17H2,(H,23,27)
InChIKeyZQRGJVJUHOHMGX-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.79
Rot. Bonds5

About 2-benzyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrrolidine-1-carboxamide

2-benzyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrrolidine-1-carboxamide (PubChem CID 86967097) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-benzyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrrolidine-1-carboxamide
PubChem CID86967097
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-benzyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrrolidine-1-carboxamide
SMILESO=C(NCc1cccc(-n2cccn2)c1)N1CCCC1Cc1ccccc1
InChIInChI=1S/C22H24N4O/c27-22(25-13-5-11-20(25)15-18-7-2-1-3-8-18)23-17-19-9-4-10-21(16-19)26-14-6-12-24-26/h1-4,6-10,12,14,16,20H,5,11,13,15,17H2,(H,23,27)
InChIKeyZQRGJVJUHOHMGX-UHFFFAOYSA-N
XLogP3.79
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-phenoxyethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]piperazine-1-carboxamide
CID 86967084
2-benzyl-N-[(1-ethylpyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 139001157
4-(2-oxo-3H-benzimidazol-1-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]piperidine-1-carboxamide
CID 86967337
3-[[(2-ethylpyrrolidine-1-carbonyl)amino]methyl]benzoic acid
CID 61207658
(3S)-1-oxo-N-[(3-pyrazol-1-ylphenyl)methyl]-3,4-dihydroisochromene-3-carboxamide
CID 95629383
N-benzyl-3-pyrazol-1-ylbenzamide
CID 110698131
(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-N-[(3-pyrazol-1-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 10114757
N-benzyl-2-(2-hydroxypropyl)pyrrolidine-1-carboxamide
CID 103837231
2-benzyl-N-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 86880145
4-[(4-fluorophenyl)methyl]-N-[(3-pyrazol-1-ylphenyl)methyl]-1,4-diazepane-1-carboxamide
CID 86967117
N-[(3-pyrazol-1-ylphenyl)methyl]cyclohexanamine
CID 62488878
2-(3-aminopropyl)-N-benzylpyrrolidine-1-carboxamide
CID 107654539

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-benzyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrrolidine-1-carboxamide (CID 86967097) is 2-benzyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-benzyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-benzyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrrolidine-1-carboxamide is O=C(NCc1cccc(-n2cccn2)c1)N1CCCC1Cc1ccccc1.
What is the InChIKey of 2-benzyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is ZQRGJVJUHOHMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c27-22(25-13-5-11-20(25)15-18-7-2-1-3-8-18)23-17-19-9-4-10-21(16-19)26-14-6-12-24-26/h1-4,6-10,12,14,16,20H,5,11,13,15,17H2,(H,23,27).
What are the key properties of 2-benzyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrrolidine-1-carboxamide?
2-benzyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 86967097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).