1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-(trifluoromethyl)cyclohexan-1-ol

C13H18ClF3N2O — CID 114636108

IUPAC1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-(trifluoromethyl)cyclohexan-1-ol
SMILESCC(C)n1ncc(Cl)c1C1(O)CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H18ClF3N2O/c1-8(2)19-11(10(14)7-18-19)12(20)5-3-4-9(6-12)13(15,16)17/h7-9,20H,3-6H2,1-2H3
InChIKeyZXPNRNGHQTZORX-UHFFFAOYSA-N
MW310.75 g/mol
LogP4.06
Rot. Bonds2

About 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-(trifluoromethyl)cyclohexan-1-ol

1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 114636108) has the molecular formula C13H18ClF3N2O and a molecular weight of 310.75 g/mol. Its IUPAC name is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-(trifluoromethyl)cyclohexan-1-ol
PubChem CID114636108
Molecular FormulaC13H18ClF3N2O
Molecular Weight310.75 g/mol
Exact Mass310.11
IUPAC Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-(trifluoromethyl)cyclohexan-1-ol
SMILESCC(C)n1ncc(Cl)c1C1(O)CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H18ClF3N2O/c1-8(2)19-11(10(14)7-18-19)12(20)5-3-4-9(6-12)13(15,16)17/h7-9,20H,3-6H2,1-2H3
InChIKeyZXPNRNGHQTZORX-UHFFFAOYSA-N
XLogP4.06
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.75
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-(trifluoromethyl)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

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-(trifluoromethyl)cyclohexan-1-ol (CID 114636108) is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-(trifluoromethyl)cyclohexan-1-ol is CC(C)n1ncc(Cl)c1C1(O)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is ZXPNRNGHQTZORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClF3N2O/c1-8(2)19-11(10(14)7-18-19)12(20)5-3-4-9(6-12)13(15,16)17/h7-9,20H,3-6H2,1-2H3.
What are the key properties of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-(trifluoromethyl)cyclohexan-1-ol?
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 310.75 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-3-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 114636108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).