2-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propan-2-ol

C11H18N2O — CID 84665646

IUPAC2-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propan-2-ol
SMILESCn1nc(C(C)(C)O)c2c1CCCC2
InChIInChI=1S/C11H18N2O/c1-11(2,14)10-8-6-4-5-7-9(8)13(3)12-10/h14H,4-7H2,1-3H3
InChIKeyGVCJAHCFTDVIHC-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.53
Rot. Bonds1

About 2-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propan-2-ol

2-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propan-2-ol (PubChem CID 84665646) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name2-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propan-2-ol
PubChem CID84665646
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propan-2-ol
SMILESCn1nc(C(C)(C)O)c2c1CCCC2
InChIInChI=1S/C11H18N2O/c1-11(2,14)10-8-6-4-5-7-9(8)13(3)12-10/h14H,4-7H2,1-3H3
InChIKeyGVCJAHCFTDVIHC-UHFFFAOYSA-N
XLogP1.53
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propan-2-ol?
The IUPAC name of 2-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propan-2-ol (CID 84665646) is 2-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propan-2-ol.
What is the SMILES notation for 2-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propan-2-ol?
The canonical SMILES for 2-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propan-2-ol is Cn1nc(C(C)(C)O)c2c1CCCC2.
What is the InChIKey of 2-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propan-2-ol?
The InChIKey is GVCJAHCFTDVIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-11(2,14)10-8-6-4-5-7-9(8)13(3)12-10/h14H,4-7H2,1-3H3.
What are the key properties of 2-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propan-2-ol?
2-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propan-2-ol has a molecular weight of 194.28 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propan-2-ol is sourced from PubChem (CID 84665646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).