5-methyl-N-(3-methyl-2-oxobutyl)-1-phenylpyrazole-3-carboxamide

C16H19N3O2 — CID 142965517

IUPAC5-methyl-N-(3-methyl-2-oxobutyl)-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)C(C)C)nn1-c1ccccc1
InChIInChI=1S/C16H19N3O2/c1-11(2)15(20)10-17-16(21)14-9-12(3)19(18-14)13-7-5-4-6-8-13/h4-9,11H,10H2,1-3H3,(H,17,21)
InChIKeyJSPUQQNCXXTMBW-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.14
Rot. Bonds5

About 5-methyl-N-(3-methyl-2-oxobutyl)-1-phenylpyrazole-3-carboxamide

5-methyl-N-(3-methyl-2-oxobutyl)-1-phenylpyrazole-3-carboxamide (PubChem CID 142965517) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-methyl-N-(3-methyl-2-oxobutyl)-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(3-methyl-2-oxobutyl)-1-phenylpyrazole-3-carboxamide
PubChem CID142965517
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name5-methyl-N-(3-methyl-2-oxobutyl)-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC(=O)C(C)C)nn1-c1ccccc1
InChIInChI=1S/C16H19N3O2/c1-11(2)15(20)10-17-16(21)14-9-12(3)19(18-14)13-7-5-4-6-8-13/h4-9,11H,10H2,1-3H3,(H,17,21)
InChIKeyJSPUQQNCXXTMBW-UHFFFAOYSA-N
XLogP2.14
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxy-2-methylpentyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 111447022
N-[2-(2-hydroxyethyl)-4-methylpentyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 111662424
5-methyl-1-phenyl-N-(2-phenylbutyl)pyrazole-3-carboxamide
CID 55756841
5-methyl-1-phenylpyrazole-3-carboxylic acid
CID 698388
N-(3-cyclopentylpropyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55761903
N-[(2S)-2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 95782203
5-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 60511850
N-[2-(4-methoxyphenoxy)ethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 110372766
5-methyl-1-phenylpyrazole-3-carboxamide
CID 68896199
N-benzyl-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373063
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 110372761
benzamido 5-methyl-1-phenylpyrazole-3-carboxylate
CID 5019720

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-methyl-2-oxobutyl)-1-phenylpyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(3-methyl-2-oxobutyl)-1-phenylpyrazole-3-carboxamide (CID 142965517) is 5-methyl-N-(3-methyl-2-oxobutyl)-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(3-methyl-2-oxobutyl)-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(3-methyl-2-oxobutyl)-1-phenylpyrazole-3-carboxamide is Cc1cc(C(=O)NCC(=O)C(C)C)nn1-c1ccccc1.
What is the InChIKey of 5-methyl-N-(3-methyl-2-oxobutyl)-1-phenylpyrazole-3-carboxamide?
The InChIKey is JSPUQQNCXXTMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11(2)15(20)10-17-16(21)14-9-12(3)19(18-14)13-7-5-4-6-8-13/h4-9,11H,10H2,1-3H3,(H,17,21).
What are the key properties of 5-methyl-N-(3-methyl-2-oxobutyl)-1-phenylpyrazole-3-carboxamide?
5-methyl-N-(3-methyl-2-oxobutyl)-1-phenylpyrazole-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-methyl-2-oxobutyl)-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 142965517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).