5-cyclopropyl-N-(naphthalen-2-ylmethyl)-1-phenylpyrazole-4-carboxamide

C24H21N3O — CID 112816283

IUPAC5-cyclopropyl-N-(naphthalen-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
SMILESO=C(NCc1ccc2ccccc2c1)c1cnn(-c2ccccc2)c1C1CC1
InChIInChI=1S/C24H21N3O/c28-24(25-15-17-10-11-18-6-4-5-7-20(18)14-17)22-16-26-27(23(22)19-12-13-19)21-8-2-1-3-9-21/h1-11,14,16,19H,12-13,15H2,(H,25,28)
InChIKeyIGXUNNXDGCKDCR-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.83
Rot. Bonds5

About 5-cyclopropyl-N-(naphthalen-2-ylmethyl)-1-phenylpyrazole-4-carboxamide

5-cyclopropyl-N-(naphthalen-2-ylmethyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 112816283) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is 5-cyclopropyl-N-(naphthalen-2-ylmethyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(naphthalen-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
PubChem CID112816283
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC Name5-cyclopropyl-N-(naphthalen-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
SMILESO=C(NCc1ccc2ccccc2c1)c1cnn(-c2ccccc2)c1C1CC1
InChIInChI=1S/C24H21N3O/c28-24(25-15-17-10-11-18-6-4-5-7-20(18)14-17)22-16-26-27(23(22)19-12-13-19)21-8-2-1-3-9-21/h1-11,14,16,19H,12-13,15H2,(H,25,28)
InChIKeyIGXUNNXDGCKDCR-UHFFFAOYSA-N
XLogP4.83
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[4-[(4-methoxyphenyl)methylcarbamoyl]-1-phenylpyrazol-5-yl]piperidine-1-carboxylate
CID 122175656
tert-butyl 4-[4-[(3-methoxyphenyl)methylcarbamoyl]-1-phenylpyrazol-5-yl]piperidine-1-carboxylate
CID 46281317
N-(3-aminobutyl)-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119498276
5-cyclopropyl-N-[(3,5-difluorophenyl)methyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55609641
5-cyclopropyl-1-(2-methylphenyl)-N-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 36997228
1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20924020
5-cyclopropyl-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 112817431
5-cyclopropyl-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-phenylpyrazole-4-carboxamide
CID 112814315
5-cyclopropyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119463223
N-[(2S)-1-aminopropan-2-yl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 120505954
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 55569850
N-(naphthalen-2-ylmethyl)benzamide
CID 47161333

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(naphthalen-2-ylmethyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(naphthalen-2-ylmethyl)-1-phenylpyrazole-4-carboxamide (CID 112816283) is 5-cyclopropyl-N-(naphthalen-2-ylmethyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(naphthalen-2-ylmethyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(naphthalen-2-ylmethyl)-1-phenylpyrazole-4-carboxamide is O=C(NCc1ccc2ccccc2c1)c1cnn(-c2ccccc2)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-N-(naphthalen-2-ylmethyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is IGXUNNXDGCKDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O/c28-24(25-15-17-10-11-18-6-4-5-7-20(18)14-17)22-16-26-27(23(22)19-12-13-19)21-8-2-1-3-9-21/h1-11,14,16,19H,12-13,15H2,(H,25,28).
What are the key properties of 5-cyclopropyl-N-(naphthalen-2-ylmethyl)-1-phenylpyrazole-4-carboxamide?
5-cyclopropyl-N-(naphthalen-2-ylmethyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(naphthalen-2-ylmethyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 112816283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).