1-(3-methylphenyl)-3-phenyl-N-propan-2-ylpyrazole-5-carboxamide

C20H21N3O — CID 42758329

IUPAC1-(3-methylphenyl)-3-phenyl-N-propan-2-ylpyrazole-5-carboxamide
SMILESCc1cccc(-n2nc(-c3ccccc3)cc2C(=O)NC(C)C)c1
InChIInChI=1S/C20H21N3O/c1-14(2)21-20(24)19-13-18(16-9-5-4-6-10-16)22-23(19)17-11-7-8-15(3)12-17/h4-14H,1-3H3,(H,21,24)
InChIKeyLUSWFWVGXZRFRC-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.99
Rot. Bonds4

About 1-(3-methylphenyl)-3-phenyl-N-propan-2-ylpyrazole-5-carboxamide

1-(3-methylphenyl)-3-phenyl-N-propan-2-ylpyrazole-5-carboxamide (PubChem CID 42758329) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-phenyl-N-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-phenyl-N-propan-2-ylpyrazole-5-carboxamide
PubChem CID42758329
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name1-(3-methylphenyl)-3-phenyl-N-propan-2-ylpyrazole-5-carboxamide
SMILESCc1cccc(-n2nc(-c3ccccc3)cc2C(=O)NC(C)C)c1
InChIInChI=1S/C20H21N3O/c1-14(2)21-20(24)19-13-18(16-9-5-4-6-10-16)22-23(19)17-11-7-8-15(3)12-17/h4-14H,1-3H3,(H,21,24)
InChIKeyLUSWFWVGXZRFRC-UHFFFAOYSA-N
XLogP3.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbutan-2-yl)-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide
CID 3975682
3-(3-methoxyphenyl)-N-[(2S)-3-methylbutan-2-yl]-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 7361497
3-(4-methoxyphenyl)-1-phenyl-N-propan-2-ylpyrazole-5-carboxamide
CID 812061
N-benzhydryl-1-(3-methylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 4564917
N,N-diethyl-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide
CID 42758335
N-[(2R)-pentan-2-yl]-1,3-diphenylpyrazole-5-carboxamide
CID 7930702
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide
CID 42758331
N-(3,3-diphenylpropyl)-3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 5199691
N-tert-butyl-3-(4-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 42758673
3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxylic acid
CID 812159
1,3-diphenyl-N-[(1R)-1-pyridin-4-ylethyl]pyrazole-5-carboxamide
CID 40551886
N-tert-butyl-3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 42758503

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-phenyl-N-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of 1-(3-methylphenyl)-3-phenyl-N-propan-2-ylpyrazole-5-carboxamide (CID 42758329) is 1-(3-methylphenyl)-3-phenyl-N-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 1-(3-methylphenyl)-3-phenyl-N-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 1-(3-methylphenyl)-3-phenyl-N-propan-2-ylpyrazole-5-carboxamide is Cc1cccc(-n2nc(-c3ccccc3)cc2C(=O)NC(C)C)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-phenyl-N-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is LUSWFWVGXZRFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-14(2)21-20(24)19-13-18(16-9-5-4-6-10-16)22-23(19)17-11-7-8-15(3)12-17/h4-14H,1-3H3,(H,21,24).
What are the key properties of 1-(3-methylphenyl)-3-phenyl-N-propan-2-ylpyrazole-5-carboxamide?
1-(3-methylphenyl)-3-phenyl-N-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-phenyl-N-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 42758329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).