1-(1-ethyl-4-methoxypyrazol-5-yl)-3-(2-methylpropyl)cyclohexan-1-ol

C16H28N2O2 — CID 107429592

IUPAC1-(1-ethyl-4-methoxypyrazol-5-yl)-3-(2-methylpropyl)cyclohexan-1-ol
SMILESCCn1ncc(OC)c1C1(O)CCCC(CC(C)C)C1
InChIInChI=1S/C16H28N2O2/c1-5-18-15(14(20-4)11-17-18)16(19)8-6-7-13(10-16)9-12(2)3/h11-13,19H,5-10H2,1-4H3
InChIKeyPNXFPHRPELONEG-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.34
Rot. Bonds5

About 1-(1-ethyl-4-methoxypyrazol-5-yl)-3-(2-methylpropyl)cyclohexan-1-ol

1-(1-ethyl-4-methoxypyrazol-5-yl)-3-(2-methylpropyl)cyclohexan-1-ol (PubChem CID 107429592) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(1-ethyl-4-methoxypyrazol-5-yl)-3-(2-methylpropyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(1-ethyl-4-methoxypyrazol-5-yl)-3-(2-methylpropyl)cyclohexan-1-ol
PubChem CID107429592
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-(1-ethyl-4-methoxypyrazol-5-yl)-3-(2-methylpropyl)cyclohexan-1-ol
SMILESCCn1ncc(OC)c1C1(O)CCCC(CC(C)C)C1
InChIInChI=1S/C16H28N2O2/c1-5-18-15(14(20-4)11-17-18)16(19)8-6-7-13(10-16)9-12(2)3/h11-13,19H,5-10H2,1-4H3
InChIKeyPNXFPHRPELONEG-UHFFFAOYSA-N
XLogP3.34
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-ethyl-4-methoxypyrazol-5-yl)-3-(2-methylpropyl)cyclohexan-1-ol 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

1-(4-methoxy-1-propylpyrazol-5-yl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429844
1-(1-ethyl-4-methoxypyrazol-5-yl)-4-propylcycloheptan-1-ol
CID 114636303
4-tert-butyl-1-(1-ethyl-4-methoxypyrazol-5-yl)cycloheptan-1-ol
CID 114636327
1-(1-ethyl-4-methoxypyrazol-5-yl)-4-(propylamino)cyclohexan-1-ol
CID 114665774
1-(3-methoxypyrazin-2-yl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429636
1-(1-ethyl-4-methoxypyrazol-5-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 114633162
4-(1-ethyl-4-methoxypyrazol-5-yl)-2,2-dimethyloxan-4-ol
CID 114635857
2-cycloheptyl-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanol
CID 115837192
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-ethylcyclohexan-1-ol
CID 114635903
[2-cyclobutyl-1-(1-ethyl-4-methoxypyrazol-5-yl)ethyl]hydrazine
CID 103170830
1-(3,4-dichlorophenyl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429754
[2-cycloheptyl-1-(1-ethyl-4-methoxypyrazol-5-yl)ethyl]hydrazine
CID 105339349

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-4-methoxypyrazol-5-yl)-3-(2-methylpropyl)cyclohexan-1-ol?
The IUPAC name of 1-(1-ethyl-4-methoxypyrazol-5-yl)-3-(2-methylpropyl)cyclohexan-1-ol (CID 107429592) is 1-(1-ethyl-4-methoxypyrazol-5-yl)-3-(2-methylpropyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(1-ethyl-4-methoxypyrazol-5-yl)-3-(2-methylpropyl)cyclohexan-1-ol?
The canonical SMILES for 1-(1-ethyl-4-methoxypyrazol-5-yl)-3-(2-methylpropyl)cyclohexan-1-ol is CCn1ncc(OC)c1C1(O)CCCC(CC(C)C)C1.
What is the InChIKey of 1-(1-ethyl-4-methoxypyrazol-5-yl)-3-(2-methylpropyl)cyclohexan-1-ol?
The InChIKey is PNXFPHRPELONEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-5-18-15(14(20-4)11-17-18)16(19)8-6-7-13(10-16)9-12(2)3/h11-13,19H,5-10H2,1-4H3.
What are the key properties of 1-(1-ethyl-4-methoxypyrazol-5-yl)-3-(2-methylpropyl)cyclohexan-1-ol?
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-(2-methylpropyl)cyclohexan-1-ol has a molecular weight of 280.41 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-4-methoxypyrazol-5-yl)-3-(2-methylpropyl)cyclohexan-1-ol is sourced from PubChem (CID 107429592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).