(1,7-dimethylindazol-4-yl)methanol

C10H12N2O — CID 155733013

IUPAC(1,7-dimethylindazol-4-yl)methanol
SMILESCc1ccc(CO)c2cnn(C)c12
InChIInChI=1S/C10H12N2O/c1-7-3-4-8(6-13)9-5-11-12(2)10(7)9/h3-5,13H,6H2,1-2H3
InChIKeyBUMDIGTWGRQEIK-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.37
Rot. Bonds1

About (1,7-dimethylindazol-4-yl)methanol

(1,7-dimethylindazol-4-yl)methanol (PubChem CID 155733013) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is (1,7-dimethylindazol-4-yl)methanol.

Molecular Properties

Compound Name(1,7-dimethylindazol-4-yl)methanol
PubChem CID155733013
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name(1,7-dimethylindazol-4-yl)methanol
SMILESCc1ccc(CO)c2cnn(C)c12
InChIInChI=1S/C10H12N2O/c1-7-3-4-8(6-13)9-5-11-12(2)10(7)9/h3-5,13H,6H2,1-2H3
InChIKeyBUMDIGTWGRQEIK-UHFFFAOYSA-N
XLogP1.37
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1,7-dimethylindazole;ethane;2-hydroxyacetamide
CID 145080487
1,4-dimethylindazol-7-ol
CID 105431858
7-bromo-1,4-dimethylindazole
CID 131422474
4-chloro-1,7-dimethylindazole;ethane;2,2,2-trifluoroacetamide
CID 144693962
4-ethyl-1,5-dimethylindazole
CID 176690635
7-ethyl-1-methylindazole-4-carboxylic acid
CID 142441366
(5-chloro-1-methylpyrazol-4-yl)methanol
CID 69376960
4-chloro-1,7-dimethylindazole;ethane;2-pyrrolidin-1-ylacetamide
CID 145080742
methyl 1,4-dimethylindazole-7-carboxylate
CID 58524149
(5-chloro-1-methylindazol-7-yl)methanol
CID 90418573
4-methoxy-1,5-dimethylindazole
CID 170279766
1,4,7-trimethylpyrazolo[5,4-c]pyridine
CID 153487725

Frequently Asked Questions

What is the IUPAC name of (1,7-dimethylindazol-4-yl)methanol?
The IUPAC name of (1,7-dimethylindazol-4-yl)methanol (CID 155733013) is (1,7-dimethylindazol-4-yl)methanol.
What is the SMILES notation for (1,7-dimethylindazol-4-yl)methanol?
The canonical SMILES for (1,7-dimethylindazol-4-yl)methanol is Cc1ccc(CO)c2cnn(C)c12.
What is the InChIKey of (1,7-dimethylindazol-4-yl)methanol?
The InChIKey is BUMDIGTWGRQEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-7-3-4-8(6-13)9-5-11-12(2)10(7)9/h3-5,13H,6H2,1-2H3.
What are the key properties of (1,7-dimethylindazol-4-yl)methanol?
(1,7-dimethylindazol-4-yl)methanol has a molecular weight of 176.22 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,7-dimethylindazol-4-yl)methanol is sourced from PubChem (CID 155733013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).