1-(4-chloro-1-propylpyrazol-5-yl)-3-(trifluoromethyl)cyclohexan-1-ol

C13H18ClF3N2O — CID 114636109

IUPAC1-(4-chloro-1-propylpyrazol-5-yl)-3-(trifluoromethyl)cyclohexan-1-ol
SMILESCCCn1ncc(Cl)c1C1(O)CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H18ClF3N2O/c1-2-6-19-11(10(14)8-18-19)12(20)5-3-4-9(7-12)13(15,16)17/h8-9,20H,2-7H2,1H3
InChIKeyVFDPNIQUSLYVIJ-UHFFFAOYSA-N
MW310.75 g/mol
LogP3.89
Rot. Bonds3

About 1-(4-chloro-1-propylpyrazol-5-yl)-3-(trifluoromethyl)cyclohexan-1-ol

1-(4-chloro-1-propylpyrazol-5-yl)-3-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 114636109) has the molecular formula C13H18ClF3N2O and a molecular weight of 310.75 g/mol. Its IUPAC name is 1-(4-chloro-1-propylpyrazol-5-yl)-3-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-1-propylpyrazol-5-yl)-3-(trifluoromethyl)cyclohexan-1-ol
PubChem CID114636109
Molecular FormulaC13H18ClF3N2O
Molecular Weight310.75 g/mol
Exact Mass310.11
IUPAC Name1-(4-chloro-1-propylpyrazol-5-yl)-3-(trifluoromethyl)cyclohexan-1-ol
SMILESCCCn1ncc(Cl)c1C1(O)CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H18ClF3N2O/c1-2-6-19-11(10(14)8-18-19)12(20)5-3-4-9(7-12)13(15,16)17/h8-9,20H,2-7H2,1H3
InChIKeyVFDPNIQUSLYVIJ-UHFFFAOYSA-N
XLogP3.89
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.75
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-chloro-1-propylpyrazol-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-propylpyrazol-5-yl)-3-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-3-(trifluoromethyl)cyclohexan-1-ol (CID 114636109) is 1-(4-chloro-1-propylpyrazol-5-yl)-3-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(4-chloro-1-propylpyrazol-5-yl)-3-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(4-chloro-1-propylpyrazol-5-yl)-3-(trifluoromethyl)cyclohexan-1-ol is CCCn1ncc(Cl)c1C1(O)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(4-chloro-1-propylpyrazol-5-yl)-3-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is VFDPNIQUSLYVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClF3N2O/c1-2-6-19-11(10(14)8-18-19)12(20)5-3-4-9(7-12)13(15,16)17/h8-9,20H,2-7H2,1H3.
What are the key properties of 1-(4-chloro-1-propylpyrazol-5-yl)-3-(trifluoromethyl)cyclohexan-1-ol?
1-(4-chloro-1-propylpyrazol-5-yl)-3-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 310.75 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propylpyrazol-5-yl)-3-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 114636109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).