N-(3-methylbutan-2-yl)-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide

C22H25N3O — CID 3975682

IUPACN-(3-methylbutan-2-yl)-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide
SMILESCc1cccc(-n2nc(-c3ccccc3)cc2C(=O)NC(C)C(C)C)c1
InChIInChI=1S/C22H25N3O/c1-15(2)17(4)23-22(26)21-14-20(18-10-6-5-7-11-18)24-25(21)19-12-8-9-16(3)13-19/h5-15,17H,1-4H3,(H,23,26)
InChIKeyIYKVVHJPXRYGEK-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.62
Rot. Bonds5

About N-(3-methylbutan-2-yl)-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide

N-(3-methylbutan-2-yl)-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide (PubChem CID 3975682) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide
PubChem CID3975682
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC NameN-(3-methylbutan-2-yl)-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide
SMILESCc1cccc(-n2nc(-c3ccccc3)cc2C(=O)NC(C)C(C)C)c1
InChIInChI=1S/C22H25N3O/c1-15(2)17(4)23-22(26)21-14-20(18-10-6-5-7-11-18)24-25(21)19-12-8-9-16(3)13-19/h5-15,17H,1-4H3,(H,23,26)
InChIKeyIYKVVHJPXRYGEK-UHFFFAOYSA-N
XLogP4.62
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylphenyl)-3-phenyl-N-propan-2-ylpyrazole-5-carboxamide
CID 42758329
3-(3-methoxyphenyl)-N-[(2S)-3-methylbutan-2-yl]-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 7361497
N-[(2R)-3-methylbutan-2-yl]-1-(4-nitrophenyl)-3-phenylpyrazole-5-carboxamide
CID 7397683
N,N-diethyl-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide
CID 42758335
N-benzhydryl-1-(3-methylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 4564917
N-[(2R)-pentan-2-yl]-1,3-diphenylpyrazole-5-carboxamide
CID 7930702
N-(3,3-diphenylpropyl)-3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 5199691
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
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide
CID 42758331
1-(3-methylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylic acid
CID 2381730

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide?
The IUPAC name of N-(3-methylbutan-2-yl)-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide (CID 3975682) is N-(3-methylbutan-2-yl)-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide is Cc1cccc(-n2nc(-c3ccccc3)cc2C(=O)NC(C)C(C)C)c1.
What is the InChIKey of N-(3-methylbutan-2-yl)-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide?
The InChIKey is IYKVVHJPXRYGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-15(2)17(4)23-22(26)21-14-20(18-10-6-5-7-11-18)24-25(21)19-12-8-9-16(3)13-19/h5-15,17H,1-4H3,(H,23,26).
What are the key properties of N-(3-methylbutan-2-yl)-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide?
N-(3-methylbutan-2-yl)-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 3975682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).