1-(1-cyclohexylpyrazol-3-yl)-4-(2,2-difluoroethoxy)butan-2-ol

C15H24F2N2O2 — CID 103147801

IUPAC1-(1-cyclohexylpyrazol-3-yl)-4-(2,2-difluoroethoxy)butan-2-ol
SMILESOC(CCOCC(F)F)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C15H24F2N2O2/c16-15(17)11-21-9-7-14(20)10-12-6-8-19(18-12)13-4-2-1-3-5-13/h6,8,13-15,20H,1-5,7,9-11H2
InChIKeyOKOOBSSBZOUFRC-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.96
Rot. Bonds8

About 1-(1-cyclohexylpyrazol-3-yl)-4-(2,2-difluoroethoxy)butan-2-ol

1-(1-cyclohexylpyrazol-3-yl)-4-(2,2-difluoroethoxy)butan-2-ol (PubChem CID 103147801) has the molecular formula C15H24F2N2O2 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-(1-cyclohexylpyrazol-3-yl)-4-(2,2-difluoroethoxy)butan-2-ol.

Molecular Properties

Compound Name1-(1-cyclohexylpyrazol-3-yl)-4-(2,2-difluoroethoxy)butan-2-ol
PubChem CID103147801
Molecular FormulaC15H24F2N2O2
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Name1-(1-cyclohexylpyrazol-3-yl)-4-(2,2-difluoroethoxy)butan-2-ol
SMILESOC(CCOCC(F)F)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C15H24F2N2O2/c16-15(17)11-21-9-7-14(20)10-12-6-8-19(18-12)13-4-2-1-3-5-13/h6,8,13-15,20H,1-5,7,9-11H2
InChIKeyOKOOBSSBZOUFRC-UHFFFAOYSA-N
XLogP2.96
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(1-cyclohexylpyrazol-3-yl)-4-(2,2-difluoroethoxy)butan-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-4-(2,2-difluoroethoxy)butan-2-ol?
The IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-4-(2,2-difluoroethoxy)butan-2-ol (CID 103147801) is 1-(1-cyclohexylpyrazol-3-yl)-4-(2,2-difluoroethoxy)butan-2-ol.
What is the SMILES notation for 1-(1-cyclohexylpyrazol-3-yl)-4-(2,2-difluoroethoxy)butan-2-ol?
The canonical SMILES for 1-(1-cyclohexylpyrazol-3-yl)-4-(2,2-difluoroethoxy)butan-2-ol is OC(CCOCC(F)F)Cc1ccn(C2CCCCC2)n1.
What is the InChIKey of 1-(1-cyclohexylpyrazol-3-yl)-4-(2,2-difluoroethoxy)butan-2-ol?
The InChIKey is OKOOBSSBZOUFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N2O2/c16-15(17)11-21-9-7-14(20)10-12-6-8-19(18-12)13-4-2-1-3-5-13/h6,8,13-15,20H,1-5,7,9-11H2.
What are the key properties of 1-(1-cyclohexylpyrazol-3-yl)-4-(2,2-difluoroethoxy)butan-2-ol?
1-(1-cyclohexylpyrazol-3-yl)-4-(2,2-difluoroethoxy)butan-2-ol has a molecular weight of 302.37 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpyrazol-3-yl)-4-(2,2-difluoroethoxy)butan-2-ol is sourced from PubChem (CID 103147801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).