1-cyclohexyl-3-ethyl-5-methoxypyrazole-4-carboxylic acid

C13H20N2O3 — CID 117124434

IUPAC1-cyclohexyl-3-ethyl-5-methoxypyrazole-4-carboxylic acid
SMILESCCc1nn(C2CCCCC2)c(OC)c1C(=O)O
InChIInChI=1S/C13H20N2O3/c1-3-10-11(13(16)17)12(18-2)15(14-10)9-7-5-4-6-8-9/h9H,3-8H2,1-2H3,(H,16,17)
InChIKeyJHIQXJMUFUNVBL-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.66
Rot. Bonds4

About 1-cyclohexyl-3-ethyl-5-methoxypyrazole-4-carboxylic acid

1-cyclohexyl-3-ethyl-5-methoxypyrazole-4-carboxylic acid (PubChem CID 117124434) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-cyclohexyl-3-ethyl-5-methoxypyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-cyclohexyl-3-ethyl-5-methoxypyrazole-4-carboxylic acid
PubChem CID117124434
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-cyclohexyl-3-ethyl-5-methoxypyrazole-4-carboxylic acid
SMILESCCc1nn(C2CCCCC2)c(OC)c1C(=O)O
InChIInChI=1S/C13H20N2O3/c1-3-10-11(13(16)17)12(18-2)15(14-10)9-7-5-4-6-8-9/h9H,3-8H2,1-2H3,(H,16,17)
InChIKeyJHIQXJMUFUNVBL-UHFFFAOYSA-N
XLogP2.66
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-cyclohexyl-3-ethyl-5-methoxypyrazol-4-yl)propanoic acid
CID 117124448
3-ethyl-5-methoxy-1-methylpyrazole-4-carboxylic acid
CID 83619629
1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)-2,2,2-trifluoroethanone
CID 82699740
1-(1,1-dioxothiolan-3-yl)-3,5-diethylpyrazole-4-carboxylic acid
CID 107430847
5-chloro-1-cyclohexyl-3-methylpyrazole-4-carboxylic acid
CID 55032261
5-chloro-1-cycloheptyl-3-methylpyrazole-4-carboxylic acid
CID 61273239
1-cyclobutyl-5-methoxypyrazole-4-carboxylic acid
CID 115068986
5-chloro-1-cyclohexyl-3-propan-2-ylpyrazole-4-carboxylic acid
CID 61271434
1-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)ethanone
CID 82930287
(3-cyclopentyl-5-ethyltriazol-4-yl)methanamine
CID 105448584
3-cyclopropyl-5-ethyltriazole-4-carboxylic acid
CID 105439339
5-chloro-1-(1,1-dioxothiolan-3-yl)-3-propylpyrazole-4-carboxylic acid
CID 43145623

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-ethyl-5-methoxypyrazole-4-carboxylic acid?
The IUPAC name of 1-cyclohexyl-3-ethyl-5-methoxypyrazole-4-carboxylic acid (CID 117124434) is 1-cyclohexyl-3-ethyl-5-methoxypyrazole-4-carboxylic acid.
What is the SMILES notation for 1-cyclohexyl-3-ethyl-5-methoxypyrazole-4-carboxylic acid?
The canonical SMILES for 1-cyclohexyl-3-ethyl-5-methoxypyrazole-4-carboxylic acid is CCc1nn(C2CCCCC2)c(OC)c1C(=O)O.
What is the InChIKey of 1-cyclohexyl-3-ethyl-5-methoxypyrazole-4-carboxylic acid?
The InChIKey is JHIQXJMUFUNVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-3-10-11(13(16)17)12(18-2)15(14-10)9-7-5-4-6-8-9/h9H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 1-cyclohexyl-3-ethyl-5-methoxypyrazole-4-carboxylic acid?
1-cyclohexyl-3-ethyl-5-methoxypyrazole-4-carboxylic acid has a molecular weight of 252.31 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-ethyl-5-methoxypyrazole-4-carboxylic acid is sourced from PubChem (CID 117124434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).