(5-chloro-1H-indazol-7-yl)-(3-methyl-3-bicyclo[3.1.0]hexanyl)methanol

C15H17ClN2O — CID 134373518

IUPAC(5-chloro-1H-indazol-7-yl)-(3-methyl-3-bicyclo[3.1.0]hexanyl)methanol
SMILESCC1(C(O)c2cc(Cl)cc3cn[nH]c23)CC2CC2C1
InChIInChI=1S/C15H17ClN2O/c1-15(5-8-2-9(8)6-15)14(19)12-4-11(16)3-10-7-17-18-13(10)12/h3-4,7-9,14,19H,2,5-6H2,1H3,(H,17,18)
InChIKeyXHHLQZDULZBWIH-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.69
Rot. Bonds2

About (5-chloro-1H-indazol-7-yl)-(3-methyl-3-bicyclo[3.1.0]hexanyl)methanol

(5-chloro-1H-indazol-7-yl)-(3-methyl-3-bicyclo[3.1.0]hexanyl)methanol (PubChem CID 134373518) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is (5-chloro-1H-indazol-7-yl)-(3-methyl-3-bicyclo[3.1.0]hexanyl)methanol.

Molecular Properties

Compound Name(5-chloro-1H-indazol-7-yl)-(3-methyl-3-bicyclo[3.1.0]hexanyl)methanol
PubChem CID134373518
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name(5-chloro-1H-indazol-7-yl)-(3-methyl-3-bicyclo[3.1.0]hexanyl)methanol
SMILESCC1(C(O)c2cc(Cl)cc3cn[nH]c23)CC2CC2C1
InChIInChI=1S/C15H17ClN2O/c1-15(5-8-2-9(8)6-15)14(19)12-4-11(16)3-10-7-17-18-13(10)12/h3-4,7-9,14,19H,2,5-6H2,1H3,(H,17,18)
InChIKeyXHHLQZDULZBWIH-UHFFFAOYSA-N
XLogP3.69
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (5-chloro-1H-indazol-7-yl)-(3-methyl-3-bicyclo[3.1.0]hexanyl)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)-(3-methyl-3-bicyclo[3.1.0]hexanyl)methanol?
The IUPAC name of (5-chloro-1H-indazol-7-yl)-(3-methyl-3-bicyclo[3.1.0]hexanyl)methanol (CID 134373518) is (5-chloro-1H-indazol-7-yl)-(3-methyl-3-bicyclo[3.1.0]hexanyl)methanol.
What is the SMILES notation for (5-chloro-1H-indazol-7-yl)-(3-methyl-3-bicyclo[3.1.0]hexanyl)methanol?
The canonical SMILES for (5-chloro-1H-indazol-7-yl)-(3-methyl-3-bicyclo[3.1.0]hexanyl)methanol is CC1(C(O)c2cc(Cl)cc3cn[nH]c23)CC2CC2C1.
What is the InChIKey of (5-chloro-1H-indazol-7-yl)-(3-methyl-3-bicyclo[3.1.0]hexanyl)methanol?
The InChIKey is XHHLQZDULZBWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-15(5-8-2-9(8)6-15)14(19)12-4-11(16)3-10-7-17-18-13(10)12/h3-4,7-9,14,19H,2,5-6H2,1H3,(H,17,18).
What are the key properties of (5-chloro-1H-indazol-7-yl)-(3-methyl-3-bicyclo[3.1.0]hexanyl)methanol?
(5-chloro-1H-indazol-7-yl)-(3-methyl-3-bicyclo[3.1.0]hexanyl)methanol has a molecular weight of 276.77 g/mol, XLogP of 3.69, 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)-(3-methyl-3-bicyclo[3.1.0]hexanyl)methanol is sourced from PubChem (CID 134373518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).