N-[(2R)-pentan-2-yl]-1,3-diphenylpyrazole-5-carboxamide

C21H23N3O — CID 7930702

IUPACN-[(2R)-pentan-2-yl]-1,3-diphenylpyrazole-5-carboxamide
SMILESCCC[C@@H](C)NC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C21H23N3O/c1-3-10-16(2)22-21(25)20-15-19(17-11-6-4-7-12-17)23-24(20)18-13-8-5-9-14-18/h4-9,11-16H,3,10H2,1-2H3,(H,22,25)/t16-/m1/s1
InChIKeyZXRFAHVKKCTVPR-MRXNPFEDSA-N
MW333.44 g/mol
LogP4.46
Rot. Bonds6

About N-[(2R)-pentan-2-yl]-1,3-diphenylpyrazole-5-carboxamide

N-[(2R)-pentan-2-yl]-1,3-diphenylpyrazole-5-carboxamide (PubChem CID 7930702) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N-[(2R)-pentan-2-yl]-1,3-diphenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-pentan-2-yl]-1,3-diphenylpyrazole-5-carboxamide
PubChem CID7930702
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC NameN-[(2R)-pentan-2-yl]-1,3-diphenylpyrazole-5-carboxamide
SMILESCCC[C@@H](C)NC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C21H23N3O/c1-3-10-16(2)22-21(25)20-15-19(17-11-6-4-7-12-17)23-24(20)18-13-8-5-9-14-18/h4-9,11-16H,3,10H2,1-2H3,(H,22,25)/t16-/m1/s1
InChIKeyZXRFAHVKKCTVPR-MRXNPFEDSA-N
XLogP4.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-diphenyl-N-[(1R)-1-pyridin-4-ylethyl]pyrazole-5-carboxamide
CID 40551886
1-(3-methylphenyl)-3-phenyl-N-propan-2-ylpyrazole-5-carboxamide
CID 42758329
3-(4-methoxyphenyl)-1-phenyl-N-propan-2-ylpyrazole-5-carboxamide
CID 812061
N-[(2S)-butan-2-yl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carboxamide
CID 812311
N-(3-methylbutan-2-yl)-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide
CID 3975682
1-phenyl-N-[(2S)-4-phenylbutan-2-yl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7249590
N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-phenylpyrazole-5-carboxamide
CID 812204
N-butyl-3-(3,4-dimethylphenyl)-1-phenylpyrazole-5-carboxamide
CID 4005043
[2-oxo-2-(pentan-2-ylamino)ethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate
CID 16503750
1-(3-chlorophenyl)-3-(4-fluorophenyl)-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide
CID 42755212
3-(5-methylfuran-2-yl)-1-phenyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide
CID 4654374
3-(3,4-dimethylphenyl)-1-phenyl-N-propylpyrazole-5-carboxamide
CID 42754882

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-pentan-2-yl]-1,3-diphenylpyrazole-5-carboxamide?
The IUPAC name of N-[(2R)-pentan-2-yl]-1,3-diphenylpyrazole-5-carboxamide (CID 7930702) is N-[(2R)-pentan-2-yl]-1,3-diphenylpyrazole-5-carboxamide.
What is the SMILES notation for N-[(2R)-pentan-2-yl]-1,3-diphenylpyrazole-5-carboxamide?
The canonical SMILES for N-[(2R)-pentan-2-yl]-1,3-diphenylpyrazole-5-carboxamide is CCC[C@@H](C)NC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of N-[(2R)-pentan-2-yl]-1,3-diphenylpyrazole-5-carboxamide?
The InChIKey is ZXRFAHVKKCTVPR-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H23N3O/c1-3-10-16(2)22-21(25)20-15-19(17-11-6-4-7-12-17)23-24(20)18-13-8-5-9-14-18/h4-9,11-16H,3,10H2,1-2H3,(H,22,25)/t16-/m1/s1.
What are the key properties of N-[(2R)-pentan-2-yl]-1,3-diphenylpyrazole-5-carboxamide?
N-[(2R)-pentan-2-yl]-1,3-diphenylpyrazole-5-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-pentan-2-yl]-1,3-diphenylpyrazole-5-carboxamide is sourced from PubChem (CID 7930702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).