2-(1H-indazol-5-yl)-2-methylpropan-1-ol

C11H14N2O — CID 117281905

IUPAC2-(1H-indazol-5-yl)-2-methylpropan-1-ol
SMILESCC(C)(CO)c1ccc2[nH]ncc2c1
InChIInChI=1S/C11H14N2O/c1-11(2,7-14)9-3-4-10-8(5-9)6-12-13-10/h3-6,14H,7H2,1-2H3,(H,12,13)
InChIKeyRYZFMFLZRYOTLD-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.83
Rot. Bonds2

About 2-(1H-indazol-5-yl)-2-methylpropan-1-ol

2-(1H-indazol-5-yl)-2-methylpropan-1-ol (PubChem CID 117281905) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-(1H-indazol-5-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(1H-indazol-5-yl)-2-methylpropan-1-ol
PubChem CID117281905
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-(1H-indazol-5-yl)-2-methylpropan-1-ol
SMILESCC(C)(CO)c1ccc2[nH]ncc2c1
InChIInChI=1S/C11H14N2O/c1-11(2,7-14)9-3-4-10-8(5-9)6-12-13-10/h3-6,14H,7H2,1-2H3,(H,12,13)
InChIKeyRYZFMFLZRYOTLD-UHFFFAOYSA-N
XLogP1.83
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-5-yl)-2-methylpropan-1-ol?
The IUPAC name of 2-(1H-indazol-5-yl)-2-methylpropan-1-ol (CID 117281905) is 2-(1H-indazol-5-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(1H-indazol-5-yl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(1H-indazol-5-yl)-2-methylpropan-1-ol is CC(C)(CO)c1ccc2[nH]ncc2c1.
What is the InChIKey of 2-(1H-indazol-5-yl)-2-methylpropan-1-ol?
The InChIKey is RYZFMFLZRYOTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-11(2,7-14)9-3-4-10-8(5-9)6-12-13-10/h3-6,14H,7H2,1-2H3,(H,12,13).
What are the key properties of 2-(1H-indazol-5-yl)-2-methylpropan-1-ol?
2-(1H-indazol-5-yl)-2-methylpropan-1-ol has a molecular weight of 190.25 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-5-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 117281905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).