(4-chloro-1-propylpyrazol-5-yl)-(4,4-difluorocyclohexyl)methanol

C13H19ClF2N2O — CID 105128478

IUPAC(4-chloro-1-propylpyrazol-5-yl)-(4,4-difluorocyclohexyl)methanol
SMILESCCCn1ncc(Cl)c1C(O)C1CCC(F)(F)CC1
InChIInChI=1S/C13H19ClF2N2O/c1-2-7-18-11(10(14)8-17-18)12(19)9-3-5-13(15,16)6-4-9/h8-9,12,19H,2-7H2,1H3
InChIKeyYIXMBXBUIKBUPW-UHFFFAOYSA-N
MW292.76 g/mol
LogP3.81
Rot. Bonds4

About (4-chloro-1-propylpyrazol-5-yl)-(4,4-difluorocyclohexyl)methanol

(4-chloro-1-propylpyrazol-5-yl)-(4,4-difluorocyclohexyl)methanol (PubChem CID 105128478) has the molecular formula C13H19ClF2N2O and a molecular weight of 292.76 g/mol. Its IUPAC name is (4-chloro-1-propylpyrazol-5-yl)-(4,4-difluorocyclohexyl)methanol.

Molecular Properties

Compound Name(4-chloro-1-propylpyrazol-5-yl)-(4,4-difluorocyclohexyl)methanol
PubChem CID105128478
Molecular FormulaC13H19ClF2N2O
Molecular Weight292.76 g/mol
Exact Mass292.12
IUPAC Name(4-chloro-1-propylpyrazol-5-yl)-(4,4-difluorocyclohexyl)methanol
SMILESCCCn1ncc(Cl)c1C(O)C1CCC(F)(F)CC1
InChIInChI=1S/C13H19ClF2N2O/c1-2-7-18-11(10(14)8-17-18)12(19)9-3-5-13(15,16)6-4-9/h8-9,12,19H,2-7H2,1H3
InChIKeyYIXMBXBUIKBUPW-UHFFFAOYSA-N
XLogP3.81
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.76
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-chloro-1-propylpyrazol-5-yl)-(4,4-difluorocyclohexyl)methanol 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 (4-chloro-1-propylpyrazol-5-yl)-(4,4-difluorocyclohexyl)methanol?
The IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(4,4-difluorocyclohexyl)methanol (CID 105128478) is (4-chloro-1-propylpyrazol-5-yl)-(4,4-difluorocyclohexyl)methanol.
What is the SMILES notation for (4-chloro-1-propylpyrazol-5-yl)-(4,4-difluorocyclohexyl)methanol?
The canonical SMILES for (4-chloro-1-propylpyrazol-5-yl)-(4,4-difluorocyclohexyl)methanol is CCCn1ncc(Cl)c1C(O)C1CCC(F)(F)CC1.
What is the InChIKey of (4-chloro-1-propylpyrazol-5-yl)-(4,4-difluorocyclohexyl)methanol?
The InChIKey is YIXMBXBUIKBUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClF2N2O/c1-2-7-18-11(10(14)8-17-18)12(19)9-3-5-13(15,16)6-4-9/h8-9,12,19H,2-7H2,1H3.
What are the key properties of (4-chloro-1-propylpyrazol-5-yl)-(4,4-difluorocyclohexyl)methanol?
(4-chloro-1-propylpyrazol-5-yl)-(4,4-difluorocyclohexyl)methanol has a molecular weight of 292.76 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propylpyrazol-5-yl)-(4,4-difluorocyclohexyl)methanol is sourced from PubChem (CID 105128478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).