(R)-(2-chloro-4-fluorophenyl)-[1-(2-methylpropyl)indazol-5-yl]methanol

C18H18ClFN2O — CID 99644922

IUPAC(R)-(2-chloro-4-fluorophenyl)-[1-(2-methylpropyl)indazol-5-yl]methanol
SMILESCC(C)Cn1ncc2cc([C@@H](O)c3ccc(F)cc3Cl)ccc21
InChIInChI=1S/C18H18ClFN2O/c1-11(2)10-22-17-6-3-12(7-13(17)9-21-22)18(23)15-5-4-14(20)8-16(15)19/h3-9,11,18,23H,10H2,1-2H3/t18-/m1/s1
InChIKeyGKXGOMOABKROHB-GOSISDBHSA-N
MW332.81 g/mol
LogP4.57
Rot. Bonds4

About (R)-(2-chloro-4-fluorophenyl)-[1-(2-methylpropyl)indazol-5-yl]methanol

(R)-(2-chloro-4-fluorophenyl)-[1-(2-methylpropyl)indazol-5-yl]methanol (PubChem CID 99644922) has the molecular formula C18H18ClFN2O and a molecular weight of 332.81 g/mol. Its IUPAC name is (R)-(2-chloro-4-fluorophenyl)-[1-(2-methylpropyl)indazol-5-yl]methanol.

Molecular Properties

Compound Name(R)-(2-chloro-4-fluorophenyl)-[1-(2-methylpropyl)indazol-5-yl]methanol
PubChem CID99644922
Molecular FormulaC18H18ClFN2O
Molecular Weight332.81 g/mol
Exact Mass332.11
IUPAC Name(R)-(2-chloro-4-fluorophenyl)-[1-(2-methylpropyl)indazol-5-yl]methanol
SMILESCC(C)Cn1ncc2cc([C@@H](O)c3ccc(F)cc3Cl)ccc21
InChIInChI=1S/C18H18ClFN2O/c1-11(2)10-22-17-6-3-12(7-13(17)9-21-22)18(23)15-5-4-14(20)8-16(15)19/h3-9,11,18,23H,10H2,1-2H3/t18-/m1/s1
InChIKeyGKXGOMOABKROHB-GOSISDBHSA-N
XLogP4.57
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (R)-(2-chloro-4-fluorophenyl)-[1-(2-methylpropyl)indazol-5-yl]methanol?
The IUPAC name of (R)-(2-chloro-4-fluorophenyl)-[1-(2-methylpropyl)indazol-5-yl]methanol (CID 99644922) is (R)-(2-chloro-4-fluorophenyl)-[1-(2-methylpropyl)indazol-5-yl]methanol.
What is the SMILES notation for (R)-(2-chloro-4-fluorophenyl)-[1-(2-methylpropyl)indazol-5-yl]methanol?
The canonical SMILES for (R)-(2-chloro-4-fluorophenyl)-[1-(2-methylpropyl)indazol-5-yl]methanol is CC(C)Cn1ncc2cc([C@@H](O)c3ccc(F)cc3Cl)ccc21.
What is the InChIKey of (R)-(2-chloro-4-fluorophenyl)-[1-(2-methylpropyl)indazol-5-yl]methanol?
The InChIKey is GKXGOMOABKROHB-GOSISDBHSA-N. The full InChI is InChI=1S/C18H18ClFN2O/c1-11(2)10-22-17-6-3-12(7-13(17)9-21-22)18(23)15-5-4-14(20)8-16(15)19/h3-9,11,18,23H,10H2,1-2H3/t18-/m1/s1.
What are the key properties of (R)-(2-chloro-4-fluorophenyl)-[1-(2-methylpropyl)indazol-5-yl]methanol?
(R)-(2-chloro-4-fluorophenyl)-[1-(2-methylpropyl)indazol-5-yl]methanol has a molecular weight of 332.81 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(2-chloro-4-fluorophenyl)-[1-(2-methylpropyl)indazol-5-yl]methanol is sourced from PubChem (CID 99644922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).