N-(2,4-dimethylphenyl)-4-(3,5-dimethylpyrazol-1-yl)-4-oxobutanamide

C17H21N3O2 — CID 703660

IUPACN-(2,4-dimethylphenyl)-4-(3,5-dimethylpyrazol-1-yl)-4-oxobutanamide
SMILESCc1ccc(NC(=O)CCC(=O)n2nc(C)cc2C)c(C)c1
InChIInChI=1S/C17H21N3O2/c1-11-5-6-15(12(2)9-11)18-16(21)7-8-17(22)20-14(4)10-13(3)19-20/h5-6,9-10H,7-8H2,1-4H3,(H,18,21)
InChIKeyRUARFUQAGLPDCZ-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.18
Rot. Bonds4

About N-(2,4-dimethylphenyl)-4-(3,5-dimethylpyrazol-1-yl)-4-oxobutanamide

N-(2,4-dimethylphenyl)-4-(3,5-dimethylpyrazol-1-yl)-4-oxobutanamide (PubChem CID 703660) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-4-(3,5-dimethylpyrazol-1-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-4-(3,5-dimethylpyrazol-1-yl)-4-oxobutanamide
PubChem CID703660
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-(2,4-dimethylphenyl)-4-(3,5-dimethylpyrazol-1-yl)-4-oxobutanamide
SMILESCc1ccc(NC(=O)CCC(=O)n2nc(C)cc2C)c(C)c1
InChIInChI=1S/C17H21N3O2/c1-11-5-6-15(12(2)9-11)18-16(21)7-8-17(22)20-14(4)10-13(3)19-20/h5-6,9-10H,7-8H2,1-4H3,(H,18,21)
InChIKeyRUARFUQAGLPDCZ-UHFFFAOYSA-N
XLogP3.18
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1H-Pyrazole-4-acetamide, 3,5-dimethyl-1-phenyl-N-(phenylmethyl)-
CID 3079322
N-benzyl-4-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxobutanamide
CID 649887
N-[1-(3,4-Dimethyl-phenyl)-3,5-dimethyl-1H-pyrazol-4-yl]-propionamide
CID 1078895
3-(3,5-dimethylpyrazol-1-yl)-N-(3-methylphenyl)propanamide
CID 3236386
N-(2,4-dimethylphenyl)-3-(3,5-dimethyl-1H-pyrazol-1-yl)propanamide
CID 3244387
3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(4-methylphenyl)propanamide
CID 9550893
N-cyclopentyl-4-(5-methylindazol-1-yl)-4-oxobutanamide
CID 22510145
4-keto-4-(3-methylindazol-1-yl)-N-phenethyl-butyramide
CID 22510249
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-phenylpropan-2-yl)acetamide
CID 46887106
N-{4-[(3,5-dimethyl-1H-pyrazol-1-yl)carbonyl]phenyl}-3-methylbutanamide
CID 712899
N-(2,4-dimethylphenyl)-3-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)acrylamide
CID 832069
2-(3,5-Dimethyl-pyrazol-1-yl)-N-p-tolyl-acetamide
CID 646504

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-4-(3,5-dimethylpyrazol-1-yl)-4-oxobutanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-4-(3,5-dimethylpyrazol-1-yl)-4-oxobutanamide (CID 703660) is N-(2,4-dimethylphenyl)-4-(3,5-dimethylpyrazol-1-yl)-4-oxobutanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-4-(3,5-dimethylpyrazol-1-yl)-4-oxobutanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-4-(3,5-dimethylpyrazol-1-yl)-4-oxobutanamide is Cc1ccc(NC(=O)CCC(=O)n2nc(C)cc2C)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-4-(3,5-dimethylpyrazol-1-yl)-4-oxobutanamide?
The InChIKey is RUARFUQAGLPDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-11-5-6-15(12(2)9-11)18-16(21)7-8-17(22)20-14(4)10-13(3)19-20/h5-6,9-10H,7-8H2,1-4H3,(H,18,21).
What are the key properties of N-(2,4-dimethylphenyl)-4-(3,5-dimethylpyrazol-1-yl)-4-oxobutanamide?
N-(2,4-dimethylphenyl)-4-(3,5-dimethylpyrazol-1-yl)-4-oxobutanamide has a molecular weight of 299.37 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-4-(3,5-dimethylpyrazol-1-yl)-4-oxobutanamide is sourced from PubChem (CID 703660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).