1-indazol-1-yl-3,3-dimethylbutan-2-ol

C13H18N2O — CID 62141901

IUPAC1-indazol-1-yl-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(O)Cn1ncc2ccccc21
InChIInChI=1S/C13H18N2O/c1-13(2,3)12(16)9-15-11-7-5-4-6-10(11)8-14-15/h4-8,12,16H,9H2,1-3H3
InChIKeyJMCQZVCCMRAWFZ-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.44
Rot. Bonds2

About 1-indazol-1-yl-3,3-dimethylbutan-2-ol

1-indazol-1-yl-3,3-dimethylbutan-2-ol (PubChem CID 62141901) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-indazol-1-yl-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-indazol-1-yl-3,3-dimethylbutan-2-ol
PubChem CID62141901
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-indazol-1-yl-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(O)Cn1ncc2ccccc21
InChIInChI=1S/C13H18N2O/c1-13(2,3)12(16)9-15-11-7-5-4-6-10(11)8-14-15/h4-8,12,16H,9H2,1-3H3
InChIKeyJMCQZVCCMRAWFZ-UHFFFAOYSA-N
XLogP2.44
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-1H-indazole
CID 797066
1-Methyl-1H-indazole
CID 139456
2-(2H-indazol-2-yl)acetic acid
CID 12252435
Methyl 2-(1H-indazol-1-YL)acetate
CID 49835852
3-(1H-indazol-1-yl)propanoic acid
CID 805922
3-(1H-indazol-1-yl)propanenitrile
CID 3244150
2-(1H-indazol-1-yl)-N,N-dimethylacetamide
CID 84583666
ethyl 2-(1H-indazol-1-yl)acetate
CID 62140546
1H-Indazol-1-ylacetic acid
CID 6422830
2-Methyl-2H-indazole
CID 138364
1-(1H-Indazol-1-yl)ethanone
CID 275547
2-(Phenylmethyl)-2H-indazole
CID 5045916

Frequently Asked Questions

What is the IUPAC name of 1-indazol-1-yl-3,3-dimethylbutan-2-ol?
The IUPAC name of 1-indazol-1-yl-3,3-dimethylbutan-2-ol (CID 62141901) is 1-indazol-1-yl-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-indazol-1-yl-3,3-dimethylbutan-2-ol?
The canonical SMILES for 1-indazol-1-yl-3,3-dimethylbutan-2-ol is CC(C)(C)C(O)Cn1ncc2ccccc21.
What is the InChIKey of 1-indazol-1-yl-3,3-dimethylbutan-2-ol?
The InChIKey is JMCQZVCCMRAWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-13(2,3)12(16)9-15-11-7-5-4-6-10(11)8-14-15/h4-8,12,16H,9H2,1-3H3.
What are the key properties of 1-indazol-1-yl-3,3-dimethylbutan-2-ol?
1-indazol-1-yl-3,3-dimethylbutan-2-ol has a molecular weight of 218.30 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-indazol-1-yl-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 62141901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).