(5-tert-butyl-2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanol

C13H22N2O — CID 12933207

IUPAC(5-tert-butyl-2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanol
SMILESCn1nc2c(c1CO)CC(C(C)(C)C)CC2
InChIInChI=1S/C13H22N2O/c1-13(2,3)9-5-6-11-10(7-9)12(8-16)15(4)14-11/h9,16H,5-8H2,1-4H3
InChIKeyNGUKNHYTSQLIIR-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.06
Rot. Bonds1

About (5-tert-butyl-2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanol

(5-tert-butyl-2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanol (PubChem CID 12933207) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is (5-tert-butyl-2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanol.

Molecular Properties

Compound Name(5-tert-butyl-2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanol
PubChem CID12933207
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name(5-tert-butyl-2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanol
SMILESCn1nc2c(c1CO)CC(C(C)(C)C)CC2
InChIInChI=1S/C13H22N2O/c1-13(2,3)9-5-6-11-10(7-9)12(8-16)15(4)14-11/h9,16H,5-8H2,1-4H3
InChIKeyNGUKNHYTSQLIIR-UHFFFAOYSA-N
XLogP2.06
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanol?
The IUPAC name of (5-tert-butyl-2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanol (CID 12933207) is (5-tert-butyl-2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanol.
What is the SMILES notation for (5-tert-butyl-2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanol?
The canonical SMILES for (5-tert-butyl-2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanol is Cn1nc2c(c1CO)CC(C(C)(C)C)CC2.
What is the InChIKey of (5-tert-butyl-2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanol?
The InChIKey is NGUKNHYTSQLIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-13(2,3)9-5-6-11-10(7-9)12(8-16)15(4)14-11/h9,16H,5-8H2,1-4H3.
What are the key properties of (5-tert-butyl-2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanol?
(5-tert-butyl-2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanol has a molecular weight of 222.33 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methanol is sourced from PubChem (CID 12933207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).