(5-chloro-1H-indazol-7-yl)-(4,4-difluorocyclohexyl)methanol

C14H15ClF2N2O — CID 134373835

IUPAC(5-chloro-1H-indazol-7-yl)-(4,4-difluorocyclohexyl)methanol
SMILESOC(c1cc(Cl)cc2cn[nH]c12)C1CCC(F)(F)CC1
InChIInChI=1S/C14H15ClF2N2O/c15-10-5-9-7-18-19-12(9)11(6-10)13(20)8-1-3-14(16,17)4-2-8/h5-8,13,20H,1-4H2,(H,18,19)
InChIKeyCNRXTHLSIYDQAJ-UHFFFAOYSA-N
MW300.74 g/mol
LogP4.08
Rot. Bonds2

About (5-chloro-1H-indazol-7-yl)-(4,4-difluorocyclohexyl)methanol

(5-chloro-1H-indazol-7-yl)-(4,4-difluorocyclohexyl)methanol (PubChem CID 134373835) has the molecular formula C14H15ClF2N2O and a molecular weight of 300.74 g/mol. Its IUPAC name is (5-chloro-1H-indazol-7-yl)-(4,4-difluorocyclohexyl)methanol.

Molecular Properties

Compound Name(5-chloro-1H-indazol-7-yl)-(4,4-difluorocyclohexyl)methanol
PubChem CID134373835
Molecular FormulaC14H15ClF2N2O
Molecular Weight300.74 g/mol
Exact Mass300.08
IUPAC Name(5-chloro-1H-indazol-7-yl)-(4,4-difluorocyclohexyl)methanol
SMILESOC(c1cc(Cl)cc2cn[nH]c12)C1CCC(F)(F)CC1
InChIInChI=1S/C14H15ClF2N2O/c15-10-5-9-7-18-19-12(9)11(6-10)13(20)8-1-3-14(16,17)4-2-8/h5-8,13,20H,1-4H2,(H,18,19)
InChIKeyCNRXTHLSIYDQAJ-UHFFFAOYSA-N
XLogP4.08
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (5-chloro-1H-indazol-7-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 (5-chloro-1H-indazol-7-yl)-(4,4-difluorocyclohexyl)methanol?
The IUPAC name of (5-chloro-1H-indazol-7-yl)-(4,4-difluorocyclohexyl)methanol (CID 134373835) is (5-chloro-1H-indazol-7-yl)-(4,4-difluorocyclohexyl)methanol.
What is the SMILES notation for (5-chloro-1H-indazol-7-yl)-(4,4-difluorocyclohexyl)methanol?
The canonical SMILES for (5-chloro-1H-indazol-7-yl)-(4,4-difluorocyclohexyl)methanol is OC(c1cc(Cl)cc2cn[nH]c12)C1CCC(F)(F)CC1.
What is the InChIKey of (5-chloro-1H-indazol-7-yl)-(4,4-difluorocyclohexyl)methanol?
The InChIKey is CNRXTHLSIYDQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF2N2O/c15-10-5-9-7-18-19-12(9)11(6-10)13(20)8-1-3-14(16,17)4-2-8/h5-8,13,20H,1-4H2,(H,18,19).
What are the key properties of (5-chloro-1H-indazol-7-yl)-(4,4-difluorocyclohexyl)methanol?
(5-chloro-1H-indazol-7-yl)-(4,4-difluorocyclohexyl)methanol has a molecular weight of 300.74 g/mol, XLogP of 4.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1H-indazol-7-yl)-(4,4-difluorocyclohexyl)methanol is sourced from PubChem (CID 134373835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).