5-(4-tert-butylphenyl)-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide

C23H27N3O — CID 46105004

IUPAC5-(4-tert-butylphenyl)-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)n(C)n1)c1ccccc1
InChIInChI=1S/C23H27N3O/c1-16(17-9-7-6-8-10-17)24-22(27)20-15-21(26(5)25-20)18-11-13-19(14-12-18)23(2,3)4/h6-16H,1-5H3,(H,24,27)
InChIKeyGMOVAVACNVIKQI-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.88
Rot. Bonds4

About 5-(4-tert-butylphenyl)-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide

5-(4-tert-butylphenyl)-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide (PubChem CID 46105004) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide
PubChem CID46105004
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name5-(4-tert-butylphenyl)-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)n(C)n1)c1ccccc1
InChIInChI=1S/C23H27N3O/c1-16(17-9-7-6-8-10-17)24-22(27)20-15-21(26(5)25-20)18-11-13-19(14-12-18)23(2,3)4/h6-16H,1-5H3,(H,24,27)
InChIKeyGMOVAVACNVIKQI-UHFFFAOYSA-N
XLogP4.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-methoxyphenyl)-1-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide
CID 93013913
5-(4-methoxyphenyl)-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide
CID 46104570
3-(4-tert-butylphenyl)-1-methyl-N-[(1R)-1-phenylethyl]pyrazole-5-carboxamide
CID 93014229
5-amino-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide
CID 122171416
5-(4-tert-butylphenyl)-1-ethyl-N-propan-2-ylpyrazole-3-carboxamide
CID 46104950
5-(difluoromethyl)-N-[(1S)-1-(3-hydroxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide
CID 136586319
5-(4-tert-butylphenyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 46105017
1-[(4-tert-butylphenoxy)methyl]-N-(1-phenylethyl)pyrazole-3-carboxamide
CID 19273693
N-tert-butyl-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336303
1,5-dimethyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]pyrazole-3-carboxamide
CID 75767454
1-ethyl-5-(3-fluorophenyl)-N-(1-phenylethyl)pyrazole-3-carboxamide
CID 46104836
2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide
CID 139136791

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide?
The IUPAC name of 5-(4-tert-butylphenyl)-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide (CID 46105004) is 5-(4-tert-butylphenyl)-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-tert-butylphenyl)-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-(4-tert-butylphenyl)-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide is CC(NC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)n(C)n1)c1ccccc1.
What is the InChIKey of 5-(4-tert-butylphenyl)-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide?
The InChIKey is GMOVAVACNVIKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-16(17-9-7-6-8-10-17)24-22(27)20-15-21(26(5)25-20)18-11-13-19(14-12-18)23(2,3)4/h6-16H,1-5H3,(H,24,27).
What are the key properties of 5-(4-tert-butylphenyl)-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide?
5-(4-tert-butylphenyl)-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 46105004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).