N-(3-acetylphenyl)-2,5-dimethylpyrazole-3-carboxamide

C14H15N3O2 — CID 61059268

IUPACN-(3-acetylphenyl)-2,5-dimethylpyrazole-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(C)nn2C)c1
InChIInChI=1S/C14H15N3O2/c1-9-7-13(17(3)16-9)14(19)15-12-6-4-5-11(8-12)10(2)18/h4-8H,1-3H3,(H,15,19)
InChIKeyXVVCSEZPELTWLK-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.18
Rot. Bonds3

About N-(3-acetylphenyl)-2,5-dimethylpyrazole-3-carboxamide

N-(3-acetylphenyl)-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 61059268) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2,5-dimethylpyrazole-3-carboxamide
PubChem CID61059268
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-(3-acetylphenyl)-2,5-dimethylpyrazole-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cc(C)nn2C)c1
InChIInChI=1S/C14H15N3O2/c1-9-7-13(17(3)16-9)14(19)15-12-6-4-5-11(8-12)10(2)18/h4-8H,1-3H3,(H,15,19)
InChIKeyXVVCSEZPELTWLK-UHFFFAOYSA-N
XLogP2.18
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120934
N-(3-methoxyphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 19481236
N-[3-(chloromethyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 114293272
N-(3-acetylphenyl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide
CID 47137762
2,5-dimethyl-N-(3-nitrophenyl)pyrazole-3-carboxamide
CID 16953136
N-(3,4-dimethylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685886
N-(4-tert-butylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685894
5-[(2,5-dimethylpyrazole-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 66127114
N-(3-acetylphenyl)-3,5-dimethylbenzamide
CID 969392
3-N,4-N-bis(3-acetylphenyl)-1-methylpyrazole-3,4-dicarboxamide
CID 29097609
3-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]benzoic acid
CID 43350862
N-(3-acetylphenyl)-5-methylfuran-3-carboxamide
CID 114820827

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-2,5-dimethylpyrazole-3-carboxamide (CID 61059268) is N-(3-acetylphenyl)-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-2,5-dimethylpyrazole-3-carboxamide is CC(=O)c1cccc(NC(=O)c2cc(C)nn2C)c1.
What is the InChIKey of N-(3-acetylphenyl)-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is XVVCSEZPELTWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9-7-13(17(3)16-9)14(19)15-12-6-4-5-11(8-12)10(2)18/h4-8H,1-3H3,(H,15,19).
What are the key properties of N-(3-acetylphenyl)-2,5-dimethylpyrazole-3-carboxamide?
N-(3-acetylphenyl)-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 61059268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).