2-(1-cyclohexylpyrazol-3-yl)oxy-2-methylpropanoic acid

C13H20N2O3 — CID 71387752

IUPAC2-(1-cyclohexylpyrazol-3-yl)oxy-2-methylpropanoic acid
SMILESCC(C)(Oc1ccn(C2CCCCC2)n1)C(=O)O
InChIInChI=1S/C13H20N2O3/c1-13(2,12(16)17)18-11-8-9-15(14-11)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H,16,17)
InChIKeyFNRCQHUIBDUXAQ-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.63
Rot. Bonds4

About 2-(1-cyclohexylpyrazol-3-yl)oxy-2-methylpropanoic acid

2-(1-cyclohexylpyrazol-3-yl)oxy-2-methylpropanoic acid (PubChem CID 71387752) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-(1-cyclohexylpyrazol-3-yl)oxy-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(1-cyclohexylpyrazol-3-yl)oxy-2-methylpropanoic acid
PubChem CID71387752
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-(1-cyclohexylpyrazol-3-yl)oxy-2-methylpropanoic acid
SMILESCC(C)(Oc1ccn(C2CCCCC2)n1)C(=O)O
InChIInChI=1S/C13H20N2O3/c1-13(2,12(16)17)18-11-8-9-15(14-11)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H,16,17)
InChIKeyFNRCQHUIBDUXAQ-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-cyclohexylpyrazol-3-yl)oxy-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(aminomethyl)-3-(1-cyclohexylpyrazol-3-yl)-2-methylpropanoic acid
CID 106487284
1-(1-cyclopentylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-one
CID 79197509
1-[4-[4-(1-cyclohexylpyrazol-3-yl)oxybutyl]piperazin-1-yl]ethanone;oxalic acid
CID 66608731
(1-cyclopropylpyrazol-3-yl) carbamate
CID 175116070
6-(1-cyclohexylpyrazol-3-yl)-2,2-dimethylhexan-3-one
CID 64777572
3-tert-butyl-1-cyclohexylpyrazole-4-carboxylic acid
CID 61270272
2-amino-2-[(1-cyclohexylpyrazol-3-yl)methyl]-3,3,3-trifluoropropanoic acid
CID 64776979
methyl 2-(1-cyclopropylpyrazol-3-yl)oxyacetate
CID 126662388
4-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64783426
1-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64784110
1-(1-cyclohexylpyrazol-3-yl)-4,5,5-trimethylhexan-2-one
CID 114975039
2-(aminomethyl)-2-[(1-cyclopentylpyrazol-3-yl)methyl]butanoic acid
CID 106487455

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylpyrazol-3-yl)oxy-2-methylpropanoic acid?
The IUPAC name of 2-(1-cyclohexylpyrazol-3-yl)oxy-2-methylpropanoic acid (CID 71387752) is 2-(1-cyclohexylpyrazol-3-yl)oxy-2-methylpropanoic acid.
What is the SMILES notation for 2-(1-cyclohexylpyrazol-3-yl)oxy-2-methylpropanoic acid?
The canonical SMILES for 2-(1-cyclohexylpyrazol-3-yl)oxy-2-methylpropanoic acid is CC(C)(Oc1ccn(C2CCCCC2)n1)C(=O)O.
What is the InChIKey of 2-(1-cyclohexylpyrazol-3-yl)oxy-2-methylpropanoic acid?
The InChIKey is FNRCQHUIBDUXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-13(2,12(16)17)18-11-8-9-15(14-11)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 2-(1-cyclohexylpyrazol-3-yl)oxy-2-methylpropanoic acid?
2-(1-cyclohexylpyrazol-3-yl)oxy-2-methylpropanoic acid has a molecular weight of 252.31 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylpyrazol-3-yl)oxy-2-methylpropanoic acid is sourced from PubChem (CID 71387752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).