1-(2-acetyl-3-methoxyphenyl)pyrazole-3-carboxamide

C13H13N3O3 — CID 113388888

IUPAC1-(2-acetyl-3-methoxyphenyl)pyrazole-3-carboxamide
SMILESCOc1cccc(-n2ccc(C(N)=O)n2)c1C(C)=O
InChIInChI=1S/C13H13N3O3/c1-8(17)12-10(4-3-5-11(12)19-2)16-7-6-9(15-16)13(14)18/h3-7H,1-2H3,(H2,14,18)
InChIKeyMFYGFPWTBQUIPV-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.18
Rot. Bonds4

About 1-(2-acetyl-3-methoxyphenyl)pyrazole-3-carboxamide

1-(2-acetyl-3-methoxyphenyl)pyrazole-3-carboxamide (PubChem CID 113388888) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 1-(2-acetyl-3-methoxyphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-acetyl-3-methoxyphenyl)pyrazole-3-carboxamide
PubChem CID113388888
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC Name1-(2-acetyl-3-methoxyphenyl)pyrazole-3-carboxamide
SMILESCOc1cccc(-n2ccc(C(N)=O)n2)c1C(C)=O
InChIInChI=1S/C13H13N3O3/c1-8(17)12-10(4-3-5-11(12)19-2)16-7-6-9(15-16)13(14)18/h3-7H,1-2H3,(H2,14,18)
InChIKeyMFYGFPWTBQUIPV-UHFFFAOYSA-N
XLogP1.18
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-aminophenyl)pyrazole-3-carboxamide
CID 43475524
1-[2-(aminomethyl)phenyl]pyrazole-3-carboxamide
CID 64782828
1-(4-acetyl-2-chlorophenyl)pyrazole-3-carboxamide
CID 64780381
1-[2-(3,6-dihydro-2H-pyridin-1-yl)-6-methoxyphenyl]ethanone
CID 114410228
1-[2-[(1S)-1-aminopropyl]phenyl]pyrazole-3-carboxamide
CID 113358878
(2-methoxyphenyl)methyl 1-(2-fluorophenyl)pyrazole-3-carboxylate
CID 78866138
1-[1-(2-methylphenyl)pyrazol-3-yl]ethanone
CID 146082154
1-[3-(methylamino)-2-nitrophenyl]pyrazole-3-carboxamide
CID 80868760
methyl 3-amino-2-(3-carbamoylpyrazol-1-yl)benzoate
CID 112579519
1-(2-carbamothioyl-3-fluorophenyl)-N-methylpyrazole-3-carboxamide
CID 79519509
1-[2-(aminomethyl)-6-methylphenyl]pyrazole-3-carboxamide
CID 107105885
(2-acetyl-3-methoxyphenyl) acetate
CID 15090735

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetyl-3-methoxyphenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(2-acetyl-3-methoxyphenyl)pyrazole-3-carboxamide (CID 113388888) is 1-(2-acetyl-3-methoxyphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-acetyl-3-methoxyphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-acetyl-3-methoxyphenyl)pyrazole-3-carboxamide is COc1cccc(-n2ccc(C(N)=O)n2)c1C(C)=O.
What is the InChIKey of 1-(2-acetyl-3-methoxyphenyl)pyrazole-3-carboxamide?
The InChIKey is MFYGFPWTBQUIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-8(17)12-10(4-3-5-11(12)19-2)16-7-6-9(15-16)13(14)18/h3-7H,1-2H3,(H2,14,18).
What are the key properties of 1-(2-acetyl-3-methoxyphenyl)pyrazole-3-carboxamide?
1-(2-acetyl-3-methoxyphenyl)pyrazole-3-carboxamide has a molecular weight of 259.27 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetyl-3-methoxyphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 113388888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).