1-(5-chloro-1H-indazol-7-yl)-2,2-dimethylpropan-1-ol

C12H15ClN2O — CID 134410251

IUPAC1-(5-chloro-1H-indazol-7-yl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)C(O)c1cc(Cl)cc2cn[nH]c12
InChIInChI=1S/C12H15ClN2O/c1-12(2,3)11(16)9-5-8(13)4-7-6-14-15-10(7)9/h4-6,11,16H,1-3H3,(H,14,15)
InChIKeyICMXIBSKSJJKDA-UHFFFAOYSA-N
MW238.72 g/mol
LogP3.30
Rot. Bonds1

About 1-(5-chloro-1H-indazol-7-yl)-2,2-dimethylpropan-1-ol

1-(5-chloro-1H-indazol-7-yl)-2,2-dimethylpropan-1-ol (PubChem CID 134410251) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 1-(5-chloro-1H-indazol-7-yl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name1-(5-chloro-1H-indazol-7-yl)-2,2-dimethylpropan-1-ol
PubChem CID134410251
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name1-(5-chloro-1H-indazol-7-yl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)C(O)c1cc(Cl)cc2cn[nH]c12
InChIInChI=1S/C12H15ClN2O/c1-12(2,3)11(16)9-5-8(13)4-7-6-14-15-10(7)9/h4-6,11,16H,1-3H3,(H,14,15)
InChIKeyICMXIBSKSJJKDA-UHFFFAOYSA-N
XLogP3.30
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-7-propan-2-yl-1H-indazole
CID 166818723
1-[4-[(1R)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]ethanone
CID 134373446
(5-chloro-1H-indazol-7-yl)-cyclopentylmethanol
CID 134373345
1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one
CID 134373837
2-amino-1-[4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 139528534
1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-3-methylbutan-1-one
CID 134373971
(5-chloro-1H-indazol-7-yl)-(3-methyl-3-bicyclo[3.1.0]hexanyl)methanol
CID 134373518
(5-chloro-1H-indazol-7-yl)-(3-fluoro-3-methylcyclobutyl)methanol
CID 161390872
4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N'-cyanopiperidine-1-carboximidamide
CID 134373530
1-(5-chloro-1H-indazol-7-yl)-2,2-dimethyl-3-propylhexan-1-ol;N-(2-fluoropropyl)acetamide
CID 142311962
(5-chloro-1H-indazol-7-yl)-(4-fluoro-1-bicyclo[2.2.2]octanyl)methanol
CID 134373521
(5-chloro-1H-indazol-7-yl)-pyridin-3-ylmethanol
CID 134373342

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1H-indazol-7-yl)-2,2-dimethylpropan-1-ol?
The IUPAC name of 1-(5-chloro-1H-indazol-7-yl)-2,2-dimethylpropan-1-ol (CID 134410251) is 1-(5-chloro-1H-indazol-7-yl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 1-(5-chloro-1H-indazol-7-yl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 1-(5-chloro-1H-indazol-7-yl)-2,2-dimethylpropan-1-ol is CC(C)(C)C(O)c1cc(Cl)cc2cn[nH]c12.
What is the InChIKey of 1-(5-chloro-1H-indazol-7-yl)-2,2-dimethylpropan-1-ol?
The InChIKey is ICMXIBSKSJJKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-12(2,3)11(16)9-5-8(13)4-7-6-14-15-10(7)9/h4-6,11,16H,1-3H3,(H,14,15).
What are the key properties of 1-(5-chloro-1H-indazol-7-yl)-2,2-dimethylpropan-1-ol?
1-(5-chloro-1H-indazol-7-yl)-2,2-dimethylpropan-1-ol has a molecular weight of 238.72 g/mol, XLogP of 3.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1H-indazol-7-yl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 134410251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).