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

C14H14ClF3N2O — CID 134373963

IUPAC(5-chloro-1H-indazol-7-yl)-(1,4,4-trifluorocyclohexyl)methanol
SMILESOC(c1cc(Cl)cc2cn[nH]c12)C1(F)CCC(F)(F)CC1
InChIInChI=1S/C14H14ClF3N2O/c15-9-5-8-7-19-20-11(8)10(6-9)12(21)13(16)1-3-14(17,18)4-2-13/h5-7,12,21H,1-4H2,(H,19,20)
InChIKeyRZEUXLAKYLNZMR-UHFFFAOYSA-N
MW318.73 g/mol
LogP4.17
Rot. Bonds2

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

(5-chloro-1H-indazol-7-yl)-(1,4,4-trifluorocyclohexyl)methanol (PubChem CID 134373963) has the molecular formula C14H14ClF3N2O and a molecular weight of 318.73 g/mol. Its IUPAC name is (5-chloro-1H-indazol-7-yl)-(1,4,4-trifluorocyclohexyl)methanol.

Molecular Properties

Compound Name(5-chloro-1H-indazol-7-yl)-(1,4,4-trifluorocyclohexyl)methanol
PubChem CID134373963
Molecular FormulaC14H14ClF3N2O
Molecular Weight318.73 g/mol
Exact Mass318.07
IUPAC Name(5-chloro-1H-indazol-7-yl)-(1,4,4-trifluorocyclohexyl)methanol
SMILESOC(c1cc(Cl)cc2cn[nH]c12)C1(F)CCC(F)(F)CC1
InChIInChI=1S/C14H14ClF3N2O/c15-9-5-8-7-19-20-11(8)10(6-9)12(21)13(16)1-3-14(17,18)4-2-13/h5-7,12,21H,1-4H2,(H,19,20)
InChIKeyRZEUXLAKYLNZMR-UHFFFAOYSA-N
XLogP4.17
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.73
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (5-chloro-1H-indazol-7-yl)-(1,4,4-trifluorocyclohexyl)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)-(1,4,4-trifluorocyclohexyl)methanol?
The IUPAC name of (5-chloro-1H-indazol-7-yl)-(1,4,4-trifluorocyclohexyl)methanol (CID 134373963) is (5-chloro-1H-indazol-7-yl)-(1,4,4-trifluorocyclohexyl)methanol.
What is the SMILES notation for (5-chloro-1H-indazol-7-yl)-(1,4,4-trifluorocyclohexyl)methanol?
The canonical SMILES for (5-chloro-1H-indazol-7-yl)-(1,4,4-trifluorocyclohexyl)methanol is OC(c1cc(Cl)cc2cn[nH]c12)C1(F)CCC(F)(F)CC1.
What is the InChIKey of (5-chloro-1H-indazol-7-yl)-(1,4,4-trifluorocyclohexyl)methanol?
The InChIKey is RZEUXLAKYLNZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3N2O/c15-9-5-8-7-19-20-11(8)10(6-9)12(21)13(16)1-3-14(17,18)4-2-13/h5-7,12,21H,1-4H2,(H,19,20).
What are the key properties of (5-chloro-1H-indazol-7-yl)-(1,4,4-trifluorocyclohexyl)methanol?
(5-chloro-1H-indazol-7-yl)-(1,4,4-trifluorocyclohexyl)methanol has a molecular weight of 318.73 g/mol, XLogP of 4.17, 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)-(1,4,4-trifluorocyclohexyl)methanol is sourced from PubChem (CID 134373963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).