5-methyl-N-(2-methylbutan-2-yl)-1-phenylpyrazole-4-carboxamide

C16H21N3O — CID 46554811

IUPAC5-methyl-N-(2-methylbutan-2-yl)-1-phenylpyrazole-4-carboxamide
SMILESCCC(C)(C)NC(=O)c1cnn(-c2ccccc2)c1C
InChIInChI=1S/C16H21N3O/c1-5-16(3,4)18-15(20)14-11-17-19(12(14)2)13-9-7-6-8-10-13/h6-11H,5H2,1-4H3,(H,18,20)
InChIKeyPXZDTZDBDKMVOL-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.10
Rot. Bonds4

About 5-methyl-N-(2-methylbutan-2-yl)-1-phenylpyrazole-4-carboxamide

5-methyl-N-(2-methylbutan-2-yl)-1-phenylpyrazole-4-carboxamide (PubChem CID 46554811) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-methyl-N-(2-methylbutan-2-yl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-methylbutan-2-yl)-1-phenylpyrazole-4-carboxamide
PubChem CID46554811
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name5-methyl-N-(2-methylbutan-2-yl)-1-phenylpyrazole-4-carboxamide
SMILESCCC(C)(C)NC(=O)c1cnn(-c2ccccc2)c1C
InChIInChI=1S/C16H21N3O/c1-5-16(3,4)18-15(20)14-11-17-19(12(14)2)13-9-7-6-8-10-13/h6-11H,5H2,1-4H3,(H,18,20)
InChIKeyPXZDTZDBDKMVOL-UHFFFAOYSA-N
XLogP3.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-5-methyl-N-(2-methylbutan-2-yl)pyrazole-4-carboxamide
CID 37133499
N-(2-hydroxy-2-phenylpropyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 111335159
2-[[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]amino]-2-methylbutanoic acid
CID 119199529
1-(4-bromophenyl)-5-methyl-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 55892348
4-[[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]amino]-4-methylpentanoic acid
CID 119204342
5-methyl-N-pentyl-1-phenylpyrazole-4-carboxamide
CID 34317853
5-methyl-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide
CID 11098783
ethyl 2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoate
CID 38074348
N-[(2R)-2-(ethylamino)propyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 120652379
N-tert-butyl-5-(chloromethyl)-1-phenylpyrazole-4-carboxamide
CID 139497527
2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoic acid
CID 108804246
5-methyl-1-phenyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
CID 46139091

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-methylbutan-2-yl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(2-methylbutan-2-yl)-1-phenylpyrazole-4-carboxamide (CID 46554811) is 5-methyl-N-(2-methylbutan-2-yl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-methylbutan-2-yl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(2-methylbutan-2-yl)-1-phenylpyrazole-4-carboxamide is CCC(C)(C)NC(=O)c1cnn(-c2ccccc2)c1C.
What is the InChIKey of 5-methyl-N-(2-methylbutan-2-yl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is PXZDTZDBDKMVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-5-16(3,4)18-15(20)14-11-17-19(12(14)2)13-9-7-6-8-10-13/h6-11H,5H2,1-4H3,(H,18,20).
What are the key properties of 5-methyl-N-(2-methylbutan-2-yl)-1-phenylpyrazole-4-carboxamide?
5-methyl-N-(2-methylbutan-2-yl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-methylbutan-2-yl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 46554811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).