3-(1-cyclohexyl-3-ethyl-5-methoxypyrazol-4-yl)propanoic acid

C15H24N2O3 — CID 117124448

IUPAC3-(1-cyclohexyl-3-ethyl-5-methoxypyrazol-4-yl)propanoic acid
SMILESCCc1nn(C2CCCCC2)c(OC)c1CCC(=O)O
InChIInChI=1S/C15H24N2O3/c1-3-13-12(9-10-14(18)19)15(20-2)17(16-13)11-7-5-4-6-8-11/h11H,3-10H2,1-2H3,(H,18,19)
InChIKeyAYLXNOQTSASCFE-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.98
Rot. Bonds6

About 3-(1-cyclohexyl-3-ethyl-5-methoxypyrazol-4-yl)propanoic acid

3-(1-cyclohexyl-3-ethyl-5-methoxypyrazol-4-yl)propanoic acid (PubChem CID 117124448) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-(1-cyclohexyl-3-ethyl-5-methoxypyrazol-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-cyclohexyl-3-ethyl-5-methoxypyrazol-4-yl)propanoic acid
PubChem CID117124448
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name3-(1-cyclohexyl-3-ethyl-5-methoxypyrazol-4-yl)propanoic acid
SMILESCCc1nn(C2CCCCC2)c(OC)c1CCC(=O)O
InChIInChI=1S/C15H24N2O3/c1-3-13-12(9-10-14(18)19)15(20-2)17(16-13)11-7-5-4-6-8-11/h11H,3-10H2,1-2H3,(H,18,19)
InChIKeyAYLXNOQTSASCFE-UHFFFAOYSA-N
XLogP2.98
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-3-ethyl-5-methoxypyrazole-4-carboxylic acid
CID 117124434
3-(3,5-diamino-1-cyclopentylpyrazol-4-yl)propanoic acid
CID 117123276
3-(1-cyclohexyl-5-oxo-4H-1,2,4-triazol-3-yl)propanoic acid
CID 137015126
1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)-2,2,2-trifluoroethanone
CID 82699740
1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)butan-2-amine
CID 82700380
3-(4-butyl-1-cyclohexyl-5-methylpyrazol-3-yl)propanoyl chloride
CID 143116680
3-(1-cycloheptyl-4,6-dimethyl-2-oxopyrimidin-5-yl)propanoic acid
CID 43346221
2-(1-cyclopentyl-5-methoxy-3-propan-2-ylpyrazol-4-yl)ethanamine
CID 117124377
3-(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)propanoic acid
CID 117124649
3-(1-cycloheptylimidazol-4-yl)propanoic acid
CID 82476450
4-[2-cyclohexyl-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]butanoic acid
CID 74235920
1-cyclobutyl-5-methoxypyrazole-4-carboxylic acid
CID 115068986

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclohexyl-3-ethyl-5-methoxypyrazol-4-yl)propanoic acid?
The IUPAC name of 3-(1-cyclohexyl-3-ethyl-5-methoxypyrazol-4-yl)propanoic acid (CID 117124448) is 3-(1-cyclohexyl-3-ethyl-5-methoxypyrazol-4-yl)propanoic acid.
What is the SMILES notation for 3-(1-cyclohexyl-3-ethyl-5-methoxypyrazol-4-yl)propanoic acid?
The canonical SMILES for 3-(1-cyclohexyl-3-ethyl-5-methoxypyrazol-4-yl)propanoic acid is CCc1nn(C2CCCCC2)c(OC)c1CCC(=O)O.
What is the InChIKey of 3-(1-cyclohexyl-3-ethyl-5-methoxypyrazol-4-yl)propanoic acid?
The InChIKey is AYLXNOQTSASCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-13-12(9-10-14(18)19)15(20-2)17(16-13)11-7-5-4-6-8-11/h11H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 3-(1-cyclohexyl-3-ethyl-5-methoxypyrazol-4-yl)propanoic acid?
3-(1-cyclohexyl-3-ethyl-5-methoxypyrazol-4-yl)propanoic acid has a molecular weight of 280.37 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclohexyl-3-ethyl-5-methoxypyrazol-4-yl)propanoic acid is sourced from PubChem (CID 117124448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).