N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]cyclopropanecarboxamide

C21H21N3O — CID 17454174

IUPACN-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]cyclopropanecarboxamide
SMILESO=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)C1CC1
InChIInChI=1S/C21H21N3O/c25-21(18-11-12-18)22-13-19-15-24(14-16-7-3-1-4-8-16)23-20(19)17-9-5-2-6-10-17/h1-10,15,18H,11-14H2,(H,22,25)
InChIKeyOVORXEGTHZURJR-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.62
Rot. Bonds6

About N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]cyclopropanecarboxamide

N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]cyclopropanecarboxamide (PubChem CID 17454174) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]cyclopropanecarboxamide
PubChem CID17454174
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC NameN-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]cyclopropanecarboxamide
SMILESO=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)C1CC1
InChIInChI=1S/C21H21N3O/c25-21(18-11-12-18)22-13-19-15-24(14-16-7-3-1-4-8-16)23-20(19)17-9-5-2-6-10-17/h1-10,15,18H,11-14H2,(H,22,25)
InChIKeyOVORXEGTHZURJR-UHFFFAOYSA-N
XLogP3.62
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 24610629
(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]piperidine-2-carboxamide
CID 119276225
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 119276229
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 24610601
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]morpholine-2-carboxamide
CID 119698864
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 26117299
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119698865
(2R)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methoxypropanamide
CID 51966415
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-chloro-6-fluorobenzamide
CID 46553209
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(2-oxoazepan-1-yl)acetamide
CID 30767142

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]cyclopropanecarboxamide (CID 17454174) is N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]cyclopropanecarboxamide is O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)C1CC1.
What is the InChIKey of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]cyclopropanecarboxamide?
The InChIKey is OVORXEGTHZURJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c25-21(18-11-12-18)22-13-19-15-24(14-16-7-3-1-4-8-16)23-20(19)17-9-5-2-6-10-17/h1-10,15,18H,11-14H2,(H,22,25).
What are the key properties of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]cyclopropanecarboxamide?
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]cyclopropanecarboxamide has a molecular weight of 331.42 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 17454174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).