5-butanoyl-1-(4-methoxyphenyl)-4-propylpyrazole-3-carboxamide

C18H23N3O3 — CID 145026682

IUPAC5-butanoyl-1-(4-methoxyphenyl)-4-propylpyrazole-3-carboxamide
SMILESCCCC(=O)c1c(CCC)c(C(N)=O)nn1-c1ccc(OC)cc1
InChIInChI=1S/C18H23N3O3/c1-4-6-14-16(18(19)23)20-21(17(14)15(22)7-5-2)12-8-10-13(24-3)11-9-12/h8-11H,4-7H2,1-3H3,(H2,19,23)
InChIKeyCGESQGHGOQGHQX-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.92
Rot. Bonds8

About 5-butanoyl-1-(4-methoxyphenyl)-4-propylpyrazole-3-carboxamide

5-butanoyl-1-(4-methoxyphenyl)-4-propylpyrazole-3-carboxamide (PubChem CID 145026682) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 5-butanoyl-1-(4-methoxyphenyl)-4-propylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-butanoyl-1-(4-methoxyphenyl)-4-propylpyrazole-3-carboxamide
PubChem CID145026682
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name5-butanoyl-1-(4-methoxyphenyl)-4-propylpyrazole-3-carboxamide
SMILESCCCC(=O)c1c(CCC)c(C(N)=O)nn1-c1ccc(OC)cc1
InChIInChI=1S/C18H23N3O3/c1-4-6-14-16(18(19)23)20-21(17(14)15(22)7-5-2)12-8-10-13(24-3)11-9-12/h8-11H,4-7H2,1-3H3,(H2,19,23)
InChIKeyCGESQGHGOQGHQX-UHFFFAOYSA-N
XLogP2.92
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-hydroxyethyl)-1-(4-methoxyphenyl)-5-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-3,5-dicarboxamide
CID 135218233
4-[2-(4-amino-N-methylanilino)ethyl]-5-formyl-1-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 145234711
5-ethyl-1-(4-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 84614188
4-[2-[N-formyl-4-[methyl(5-oxopentyl)amino]anilino]ethyl]-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 166676969
1-(4-aminoperoxysulfanylphenyl)-6-(4-methoxyphenyl)indazole-3-carboxamide
CID 59072858
ethyl 1-(4-methoxyphenyl)-5-methyltriazole-4-carboxylate
CID 43836208
1-(4-methoxyphenyl)-N,5-dipropyltriazole-4-carboxamide
CID 17015604
methyl 5-amino-1-(4-methylphenyl)-4-propylpyrazole-3-carboxylate
CID 165485600
ethyl 5-butanoyl-1-(4-ethoxyphenyl)-4-oxo-6-propylpyridazine-3-carboxylate
CID 70474034
1-(4-methoxyphenyl)butan-1-one;hydrochloride
CID 162084347
5-imino-2,4-bis(4-methoxyphenyl)-3-sulfanylidene-1,2,4-triazine-6-carboxamide
CID 10714976
ethyl 5-amino-4-chloro-1-(4-methoxyphenyl)pyrazole-3-carboxylate
CID 112707174

Frequently Asked Questions

What is the IUPAC name of 5-butanoyl-1-(4-methoxyphenyl)-4-propylpyrazole-3-carboxamide?
The IUPAC name of 5-butanoyl-1-(4-methoxyphenyl)-4-propylpyrazole-3-carboxamide (CID 145026682) is 5-butanoyl-1-(4-methoxyphenyl)-4-propylpyrazole-3-carboxamide.
What is the SMILES notation for 5-butanoyl-1-(4-methoxyphenyl)-4-propylpyrazole-3-carboxamide?
The canonical SMILES for 5-butanoyl-1-(4-methoxyphenyl)-4-propylpyrazole-3-carboxamide is CCCC(=O)c1c(CCC)c(C(N)=O)nn1-c1ccc(OC)cc1.
What is the InChIKey of 5-butanoyl-1-(4-methoxyphenyl)-4-propylpyrazole-3-carboxamide?
The InChIKey is CGESQGHGOQGHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-4-6-14-16(18(19)23)20-21(17(14)15(22)7-5-2)12-8-10-13(24-3)11-9-12/h8-11H,4-7H2,1-3H3,(H2,19,23).
What are the key properties of 5-butanoyl-1-(4-methoxyphenyl)-4-propylpyrazole-3-carboxamide?
5-butanoyl-1-(4-methoxyphenyl)-4-propylpyrazole-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butanoyl-1-(4-methoxyphenyl)-4-propylpyrazole-3-carboxamide is sourced from PubChem (CID 145026682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).