(5-chloro-1H-indazol-7-yl)-[1-(difluoromethyl)cyclobutyl]methanol

C13H13ClF2N2O — CID 134373783

IUPAC(5-chloro-1H-indazol-7-yl)-[1-(difluoromethyl)cyclobutyl]methanol
SMILESOC(c1cc(Cl)cc2cn[nH]c12)C1(C(F)F)CCC1
InChIInChI=1S/C13H13ClF2N2O/c14-8-4-7-6-17-18-10(7)9(5-8)11(19)13(12(15)16)2-1-3-13/h4-6,11-12,19H,1-3H2,(H,17,18)
InChIKeyZJPDAXWTZBQMEO-UHFFFAOYSA-N
MW286.71 g/mol
LogP3.69
Rot. Bonds3

About (5-chloro-1H-indazol-7-yl)-[1-(difluoromethyl)cyclobutyl]methanol

(5-chloro-1H-indazol-7-yl)-[1-(difluoromethyl)cyclobutyl]methanol (PubChem CID 134373783) has the molecular formula C13H13ClF2N2O and a molecular weight of 286.71 g/mol. Its IUPAC name is (5-chloro-1H-indazol-7-yl)-[1-(difluoromethyl)cyclobutyl]methanol.

Molecular Properties

Compound Name(5-chloro-1H-indazol-7-yl)-[1-(difluoromethyl)cyclobutyl]methanol
PubChem CID134373783
Molecular FormulaC13H13ClF2N2O
Molecular Weight286.71 g/mol
Exact Mass286.07
IUPAC Name(5-chloro-1H-indazol-7-yl)-[1-(difluoromethyl)cyclobutyl]methanol
SMILESOC(c1cc(Cl)cc2cn[nH]c12)C1(C(F)F)CCC1
InChIInChI=1S/C13H13ClF2N2O/c14-8-4-7-6-17-18-10(7)9(5-8)11(19)13(12(15)16)2-1-3-13/h4-6,11-12,19H,1-3H2,(H,17,18)
InChIKeyZJPDAXWTZBQMEO-UHFFFAOYSA-N
XLogP3.69
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.71
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1H-indazol-7-ylmethanol
CID 44119262
[5-(3,5-dichlorophenyl)-1H-pyrazol-4-yl]-(3,5-difluorophenyl)methanol
CID 118484799
(S)-1-bicyclo[2.2.2]octanyl-(5-chloro-6-fluoro-1H-indazol-7-yl)methanol
CID 134368004
1-bicyclo[2.2.2]octanyl-(5-chloro-6-fluoro-1H-indazol-7-yl)methanol
CID 134368005
(R)-1-bicyclo[2.2.2]octanyl-(5-chloro-6-fluoro-1H-indazol-7-yl)methanol
CID 134368022
(5-chloro-4-fluoro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol
CID 134368040
1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 134373235
methyl 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]piperidine-1-carboxylate
CID 134373242
1-[4-[1-[(5-chloro-6-fluoro-1H-indazol-7-yl)-hydroxymethyl]cyclopropyl]piperidin-1-yl]ethanone
CID 134373274
1-(5-chloro-1H-indazol-7-yl)-2-(1-ethylsulfonylpiperidin-4-yl)-2,2-difluoroethanol
CID 134373282
4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 134373317
1-bicyclo[2.2.2]octanyl-(5-chloro-4-fluoro-1H-indazol-7-yl)methanol
CID 134373333

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1H-indazol-7-yl)-[1-(difluoromethyl)cyclobutyl]methanol?
The IUPAC name of (5-chloro-1H-indazol-7-yl)-[1-(difluoromethyl)cyclobutyl]methanol (CID 134373783) is (5-chloro-1H-indazol-7-yl)-[1-(difluoromethyl)cyclobutyl]methanol.
What is the SMILES notation for (5-chloro-1H-indazol-7-yl)-[1-(difluoromethyl)cyclobutyl]methanol?
The canonical SMILES for (5-chloro-1H-indazol-7-yl)-[1-(difluoromethyl)cyclobutyl]methanol is OC(c1cc(Cl)cc2cn[nH]c12)C1(C(F)F)CCC1.
What is the InChIKey of (5-chloro-1H-indazol-7-yl)-[1-(difluoromethyl)cyclobutyl]methanol?
The InChIKey is ZJPDAXWTZBQMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF2N2O/c14-8-4-7-6-17-18-10(7)9(5-8)11(19)13(12(15)16)2-1-3-13/h4-6,11-12,19H,1-3H2,(H,17,18).
What are the key properties of (5-chloro-1H-indazol-7-yl)-[1-(difluoromethyl)cyclobutyl]methanol?
(5-chloro-1H-indazol-7-yl)-[1-(difluoromethyl)cyclobutyl]methanol has a molecular weight of 286.71 g/mol, XLogP of 3.69, 3 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-(difluoromethyl)cyclobutyl]methanol is sourced from PubChem (CID 134373783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).