2-(3-chloro-1-methylindazol-4-yl)-2-methylpropan-1-ol

C12H15ClN2O — CID 117349904

IUPAC2-(3-chloro-1-methylindazol-4-yl)-2-methylpropan-1-ol
SMILESCn1nc(Cl)c2c(C(C)(C)CO)cccc21
InChIInChI=1S/C12H15ClN2O/c1-12(2,7-16)8-5-4-6-9-10(8)11(13)14-15(9)3/h4-6,16H,7H2,1-3H3
InChIKeyZLSHHTQFTMHWJZ-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.50
Rot. Bonds2

About 2-(3-chloro-1-methylindazol-4-yl)-2-methylpropan-1-ol

2-(3-chloro-1-methylindazol-4-yl)-2-methylpropan-1-ol (PubChem CID 117349904) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 2-(3-chloro-1-methylindazol-4-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(3-chloro-1-methylindazol-4-yl)-2-methylpropan-1-ol
PubChem CID117349904
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name2-(3-chloro-1-methylindazol-4-yl)-2-methylpropan-1-ol
SMILESCn1nc(Cl)c2c(C(C)(C)CO)cccc21
InChIInChI=1S/C12H15ClN2O/c1-12(2,7-16)8-5-4-6-9-10(8)11(13)14-15(9)3/h4-6,16H,7H2,1-3H3
InChIKeyZLSHHTQFTMHWJZ-UHFFFAOYSA-N
XLogP2.50
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-1-methylindazol-4-yl)-2-methylpropan-1-ol?
The IUPAC name of 2-(3-chloro-1-methylindazol-4-yl)-2-methylpropan-1-ol (CID 117349904) is 2-(3-chloro-1-methylindazol-4-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(3-chloro-1-methylindazol-4-yl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(3-chloro-1-methylindazol-4-yl)-2-methylpropan-1-ol is Cn1nc(Cl)c2c(C(C)(C)CO)cccc21.
What is the InChIKey of 2-(3-chloro-1-methylindazol-4-yl)-2-methylpropan-1-ol?
The InChIKey is ZLSHHTQFTMHWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-12(2,7-16)8-5-4-6-9-10(8)11(13)14-15(9)3/h4-6,16H,7H2,1-3H3.
What are the key properties of 2-(3-chloro-1-methylindazol-4-yl)-2-methylpropan-1-ol?
2-(3-chloro-1-methylindazol-4-yl)-2-methylpropan-1-ol has a molecular weight of 238.72 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-1-methylindazol-4-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 117349904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).