N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide

C22H24N4O — CID 119276229

IUPACN-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)C1CCCN1
InChIInChI=1S/C22H24N4O/c27-22(20-12-7-13-23-20)24-14-19-16-26(15-17-8-3-1-4-9-17)25-21(19)18-10-5-2-6-11-18/h1-6,8-11,16,20,23H,7,12-15H2,(H,24,27)
InChIKeyFZPBCJCFBHOKNW-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.97
Rot. Bonds6

About N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide

N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 119276229) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID119276229
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)C1CCCN1
InChIInChI=1S/C22H24N4O/c27-22(20-12-7-13-23-20)24-14-19-16-26(15-17-8-3-1-4-9-17)25-21(19)18-10-5-2-6-11-18/h1-6,8-11,16,20,23H,7,12-15H2,(H,24,27)
InChIKeyFZPBCJCFBHOKNW-UHFFFAOYSA-N
XLogP2.97
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]piperidine-2-carboxamide
CID 119276225
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]cyclopropanecarboxamide
CID 17454174
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119698865
(2S,4S)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619392
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-benzotriazole-5-carboxamide
CID 85453509
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]morpholine-2-carboxamide
CID 119698864
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 24610629
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 26117299
N-[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethyl]pyrrolidine-2-carboxamide
CID 119308013
(2S)-N-(1-benzylpyrazol-4-yl)piperidine-2-carboxamide;hydrochloride
CID 119740026
1-benzyl-N-(2-methylpiperidin-3-yl)-3-phenylpyrazole-4-carboxamide
CID 120574310

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide (CID 119276229) is N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide is O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)C1CCCN1.
What is the InChIKey of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is FZPBCJCFBHOKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c27-22(20-12-7-13-23-20)24-14-19-16-26(15-17-8-3-1-4-9-17)25-21(19)18-10-5-2-6-11-18/h1-6,8-11,16,20,23H,7,12-15H2,(H,24,27).
What are the key properties of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide?
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119276229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).