1-methyl-N-(3-methyl-2-phenylbutyl)pyrazole-4-carboxamide

C16H21N3O — CID 86981269

IUPAC1-methyl-N-(3-methyl-2-phenylbutyl)pyrazole-4-carboxamide
SMILESCC(C)C(CNC(=O)c1cnn(C)c1)c1ccccc1
InChIInChI=1S/C16H21N3O/c1-12(2)15(13-7-5-4-6-8-13)10-17-16(20)14-9-18-19(3)11-14/h4-9,11-12,15H,10H2,1-3H3,(H,17,20)
InChIKeyKBLVXKBWQHPZRR-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.59
Rot. Bonds5

About 1-methyl-N-(3-methyl-2-phenylbutyl)pyrazole-4-carboxamide

1-methyl-N-(3-methyl-2-phenylbutyl)pyrazole-4-carboxamide (PubChem CID 86981269) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-methyl-N-(3-methyl-2-phenylbutyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(3-methyl-2-phenylbutyl)pyrazole-4-carboxamide
PubChem CID86981269
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-methyl-N-(3-methyl-2-phenylbutyl)pyrazole-4-carboxamide
SMILESCC(C)C(CNC(=O)c1cnn(C)c1)c1ccccc1
InChIInChI=1S/C16H21N3O/c1-12(2)15(13-7-5-4-6-8-13)10-17-16(20)14-9-18-19(3)11-14/h4-9,11-12,15H,10H2,1-3H3,(H,17,20)
InChIKeyKBLVXKBWQHPZRR-UHFFFAOYSA-N
XLogP2.59
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide
CID 103512630
1-methyl-N-phenacylpyrazole-4-carboxamide
CID 64991757
2-methoxy-3-[(1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 106107325
5-[(3-methyl-2-phenylbutyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685110
5-methyl-3-[[(1-methylpyrazole-4-carbonyl)amino]methyl]hexanoic acid
CID 65492256
N-(2-hydroxy-2-phenylpropyl)-1-methylpyrazole-4-carboxamide
CID 111335084
N-[(2R)-2-(azepan-1-yl)propyl]-1-methylpyrazole-4-carboxamide
CID 39554190
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1-methylpyrazole-4-carboxamide
CID 111422596
methyl 2-hydroxy-3-[(1-methylpyrazole-4-carbonyl)amino]propanoate
CID 103879149
1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-carboxamide
CID 103723314
methyl 3-[(1-methylpyrazole-4-carbonyl)amino]-3-phenylpropanoate
CID 18098156
N-[(2S)-2-hydroxypropyl]-1-phenylpyrazole-4-carboxamide
CID 83030878

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-methyl-2-phenylbutyl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-(3-methyl-2-phenylbutyl)pyrazole-4-carboxamide (CID 86981269) is 1-methyl-N-(3-methyl-2-phenylbutyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(3-methyl-2-phenylbutyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-(3-methyl-2-phenylbutyl)pyrazole-4-carboxamide is CC(C)C(CNC(=O)c1cnn(C)c1)c1ccccc1.
What is the InChIKey of 1-methyl-N-(3-methyl-2-phenylbutyl)pyrazole-4-carboxamide?
The InChIKey is KBLVXKBWQHPZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12(2)15(13-7-5-4-6-8-13)10-17-16(20)14-9-18-19(3)11-14/h4-9,11-12,15H,10H2,1-3H3,(H,17,20).
What are the key properties of 1-methyl-N-(3-methyl-2-phenylbutyl)pyrazole-4-carboxamide?
1-methyl-N-(3-methyl-2-phenylbutyl)pyrazole-4-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-methyl-2-phenylbutyl)pyrazole-4-carboxamide is sourced from PubChem (CID 86981269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).