1-(4-methoxyphenyl)-N-(3-propanoylphenyl)pyrazole-3-carboxamide

C20H19N3O3 — CID 71845909

IUPAC1-(4-methoxyphenyl)-N-(3-propanoylphenyl)pyrazole-3-carboxamide
SMILESCCC(=O)c1cccc(NC(=O)c2ccn(-c3ccc(OC)cc3)n2)c1
InChIInChI=1S/C20H19N3O3/c1-3-19(24)14-5-4-6-15(13-14)21-20(25)18-11-12-23(22-18)16-7-9-17(26-2)10-8-16/h4-13H,3H2,1-2H3,(H,21,25)
InChIKeyBXIXBIXYBSODMT-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.73
Rot. Bonds6

About 1-(4-methoxyphenyl)-N-(3-propanoylphenyl)pyrazole-3-carboxamide

1-(4-methoxyphenyl)-N-(3-propanoylphenyl)pyrazole-3-carboxamide (PubChem CID 71845909) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-(3-propanoylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-(3-propanoylphenyl)pyrazole-3-carboxamide
PubChem CID71845909
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name1-(4-methoxyphenyl)-N-(3-propanoylphenyl)pyrazole-3-carboxamide
SMILESCCC(=O)c1cccc(NC(=O)c2ccn(-c3ccc(OC)cc3)n2)c1
InChIInChI=1S/C20H19N3O3/c1-3-19(24)14-5-4-6-15(13-14)21-20(25)18-11-12-23(22-18)16-7-9-17(26-2)10-8-16/h4-13H,3H2,1-2H3,(H,21,25)
InChIKeyBXIXBIXYBSODMT-UHFFFAOYSA-N
XLogP3.73
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyphenyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 60572392
N-(3-acetamidophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38764433
1-(4-fluorophenyl)-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 38815516
2-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]butanoic acid
CID 119223991
1-(4-methoxyphenyl)-N-(2-propan-2-ylpyrazol-3-yl)pyrazole-3-carboxamide
CID 60571372
N-[3-(4-ethylphenyl)-1,2-oxazol-5-yl]-1-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 56529981
N-(3-aminopropyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide;hydrochloride
CID 119407978
ethyl 1-[3-[(4-methoxyphenyl)methylcarbamoylamino]phenyl]pyrazole-3-carboxylate
CID 47042107
1-(3-nitrophenyl)-N-[3-(propylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 46485583
1-[(4-methoxyphenyl)methyl]-N-phenylpyrazole-3-carboxamide
CID 154079523
3-fluoro-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]benzamide
CID 136578868
N-[3-(ethylcarbamoyl)phenyl]-6-methoxyquinoline-2-carboxamide
CID 17410272

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-(3-propanoylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-N-(3-propanoylphenyl)pyrazole-3-carboxamide (CID 71845909) is 1-(4-methoxyphenyl)-N-(3-propanoylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-(3-propanoylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-N-(3-propanoylphenyl)pyrazole-3-carboxamide is CCC(=O)c1cccc(NC(=O)c2ccn(-c3ccc(OC)cc3)n2)c1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-(3-propanoylphenyl)pyrazole-3-carboxamide?
The InChIKey is BXIXBIXYBSODMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-3-19(24)14-5-4-6-15(13-14)21-20(25)18-11-12-23(22-18)16-7-9-17(26-2)10-8-16/h4-13H,3H2,1-2H3,(H,21,25).
What are the key properties of 1-(4-methoxyphenyl)-N-(3-propanoylphenyl)pyrazole-3-carboxamide?
1-(4-methoxyphenyl)-N-(3-propanoylphenyl)pyrazole-3-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-(3-propanoylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 71845909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).