N-(4-acetylphenyl)-1-ethyl-3-methylpyrazole-4-carboxamide

C15H17N3O2 — CID 19474225

IUPACN-(4-acetylphenyl)-1-ethyl-3-methylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(C(C)=O)cc2)c(C)n1
InChIInChI=1S/C15H17N3O2/c1-4-18-9-14(10(2)17-18)15(20)16-13-7-5-12(6-8-13)11(3)19/h5-9H,4H2,1-3H3,(H,16,20)
InChIKeyNHVVXHPHLZVZPK-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.67
Rot. Bonds4

About N-(4-acetylphenyl)-1-ethyl-3-methylpyrazole-4-carboxamide

N-(4-acetylphenyl)-1-ethyl-3-methylpyrazole-4-carboxamide (PubChem CID 19474225) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(4-acetylphenyl)-1-ethyl-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-1-ethyl-3-methylpyrazole-4-carboxamide
PubChem CID19474225
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(4-acetylphenyl)-1-ethyl-3-methylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2ccc(C(C)=O)cc2)c(C)n1
InChIInChI=1S/C15H17N3O2/c1-4-18-9-14(10(2)17-18)15(20)16-13-7-5-12(6-8-13)11(3)19/h5-9H,4H2,1-3H3,(H,16,20)
InChIKeyNHVVXHPHLZVZPK-UHFFFAOYSA-N
XLogP2.67
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-[4-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-3-methylpyrazole-4-carboxamide
CID 4774253
dimethyl 5-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]benzene-1,3-dicarboxylate
CID 19474183
1-ethyl-3-methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]pyrazole-4-carboxamide
CID 19474237
1-ethyl-3-methylpyrazole-4-carbohydrazide
CID 46318394
1-ethyl-N-(3-methoxyphenyl)-3-methylpyrazole-4-carboxamide
CID 19474230
3-[3-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]phenyl]benzoic acid
CID 167980507
N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 102801604
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474193
N-[1-(ethoxymethyl)pyrazol-4-yl]-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474460
methyl 1-ethyl-4-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]pyrazole-3-carboxylate
CID 19474420
N-(4-hydroxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285310
N-(4-acetylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 47278410

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-1-ethyl-3-methylpyrazole-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-1-ethyl-3-methylpyrazole-4-carboxamide (CID 19474225) is N-(4-acetylphenyl)-1-ethyl-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-1-ethyl-3-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-1-ethyl-3-methylpyrazole-4-carboxamide is CCn1cc(C(=O)Nc2ccc(C(C)=O)cc2)c(C)n1.
What is the InChIKey of N-(4-acetylphenyl)-1-ethyl-3-methylpyrazole-4-carboxamide?
The InChIKey is NHVVXHPHLZVZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-4-18-9-14(10(2)17-18)15(20)16-13-7-5-12(6-8-13)11(3)19/h5-9H,4H2,1-3H3,(H,16,20).
What are the key properties of N-(4-acetylphenyl)-1-ethyl-3-methylpyrazole-4-carboxamide?
N-(4-acetylphenyl)-1-ethyl-3-methylpyrazole-4-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-1-ethyl-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 19474225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).