6,6-dimethyl-3-propyl-1,4,5,7-tetrahydroindazol-4-ol

C12H20N2O — CID 71032665

IUPAC6,6-dimethyl-3-propyl-1,4,5,7-tetrahydroindazol-4-ol
SMILESCCCc1n[nH]c2c1C(O)CC(C)(C)C2
InChIInChI=1S/C12H20N2O/c1-4-5-8-11-9(14-13-8)6-12(2,3)7-10(11)15/h10,15H,4-7H2,1-3H3,(H,13,14)
InChIKeyOJYCMDQCKXBENX-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.37
Rot. Bonds2

About 6,6-dimethyl-3-propyl-1,4,5,7-tetrahydroindazol-4-ol

6,6-dimethyl-3-propyl-1,4,5,7-tetrahydroindazol-4-ol (PubChem CID 71032665) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 6,6-dimethyl-3-propyl-1,4,5,7-tetrahydroindazol-4-ol.

Molecular Properties

Compound Name6,6-dimethyl-3-propyl-1,4,5,7-tetrahydroindazol-4-ol
PubChem CID71032665
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name6,6-dimethyl-3-propyl-1,4,5,7-tetrahydroindazol-4-ol
SMILESCCCc1n[nH]c2c1C(O)CC(C)(C)C2
InChIInChI=1S/C12H20N2O/c1-4-5-8-11-9(14-13-8)6-12(2,3)7-10(11)15/h10,15H,4-7H2,1-3H3,(H,13,14)
InChIKeyOJYCMDQCKXBENX-UHFFFAOYSA-N
XLogP2.37
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-propyl-1,4,5,7-tetrahydroindazol-4-ol?
The IUPAC name of 6,6-dimethyl-3-propyl-1,4,5,7-tetrahydroindazol-4-ol (CID 71032665) is 6,6-dimethyl-3-propyl-1,4,5,7-tetrahydroindazol-4-ol.
What is the SMILES notation for 6,6-dimethyl-3-propyl-1,4,5,7-tetrahydroindazol-4-ol?
The canonical SMILES for 6,6-dimethyl-3-propyl-1,4,5,7-tetrahydroindazol-4-ol is CCCc1n[nH]c2c1C(O)CC(C)(C)C2.
What is the InChIKey of 6,6-dimethyl-3-propyl-1,4,5,7-tetrahydroindazol-4-ol?
The InChIKey is OJYCMDQCKXBENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-5-8-11-9(14-13-8)6-12(2,3)7-10(11)15/h10,15H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 6,6-dimethyl-3-propyl-1,4,5,7-tetrahydroindazol-4-ol?
6,6-dimethyl-3-propyl-1,4,5,7-tetrahydroindazol-4-ol has a molecular weight of 208.30 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-propyl-1,4,5,7-tetrahydroindazol-4-ol is sourced from PubChem (CID 71032665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).