4-indazol-1-yl-2-methylbutan-2-ol

C12H16N2O — CID 79360866

IUPAC4-indazol-1-yl-2-methylbutan-2-ol
SMILESCC(C)(O)CCn1ncc2ccccc21
InChIInChI=1S/C12H16N2O/c1-12(2,15)7-8-14-11-6-4-3-5-10(11)9-13-14/h3-6,9,15H,7-8H2,1-2H3
InChIKeyCNZJABPMMUQGAL-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.20
Rot. Bonds3

About 4-indazol-1-yl-2-methylbutan-2-ol

4-indazol-1-yl-2-methylbutan-2-ol (PubChem CID 79360866) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 4-indazol-1-yl-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-indazol-1-yl-2-methylbutan-2-ol
PubChem CID79360866
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name4-indazol-1-yl-2-methylbutan-2-ol
SMILESCC(C)(O)CCn1ncc2ccccc21
InChIInChI=1S/C12H16N2O/c1-12(2,15)7-8-14-11-6-4-3-5-10(11)9-13-14/h3-6,9,15H,7-8H2,1-2H3
InChIKeyCNZJABPMMUQGAL-UHFFFAOYSA-N
XLogP2.20
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-indazol-1-yl-2-methylbutan-2-ol?
The IUPAC name of 4-indazol-1-yl-2-methylbutan-2-ol (CID 79360866) is 4-indazol-1-yl-2-methylbutan-2-ol.
What is the SMILES notation for 4-indazol-1-yl-2-methylbutan-2-ol?
The canonical SMILES for 4-indazol-1-yl-2-methylbutan-2-ol is CC(C)(O)CCn1ncc2ccccc21.
What is the InChIKey of 4-indazol-1-yl-2-methylbutan-2-ol?
The InChIKey is CNZJABPMMUQGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-12(2,15)7-8-14-11-6-4-3-5-10(11)9-13-14/h3-6,9,15H,7-8H2,1-2H3.
What are the key properties of 4-indazol-1-yl-2-methylbutan-2-ol?
4-indazol-1-yl-2-methylbutan-2-ol has a molecular weight of 204.27 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-indazol-1-yl-2-methylbutan-2-ol is sourced from PubChem (CID 79360866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).