(4S)-6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol

C9H14N2O — CID 95865330

IUPAC(4S)-6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol
SMILESCC1(C)Cc2[nH]ncc2[C@@H](O)C1
InChIInChI=1S/C9H14N2O/c1-9(2)3-7-6(5-10-11-7)8(12)4-9/h5,8,12H,3-4H2,1-2H3,(H,10,11)/t8-/m0/s1
InChIKeyZSXSNTMXBUWFDQ-QMMMGPOBSA-N
MW166.22 g/mol
LogP1.42
Rot. Bonds

About (4S)-6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol

(4S)-6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol (PubChem CID 95865330) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is (4S)-6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol.

Molecular Properties

Compound Name(4S)-6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol
PubChem CID95865330
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name(4S)-6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol
SMILESCC1(C)Cc2[nH]ncc2[C@@H](O)C1
InChIInChI=1S/C9H14N2O/c1-9(2)3-7-6(5-10-11-7)8(12)4-9/h5,8,12H,3-4H2,1-2H3,(H,10,11)/t8-/m0/s1
InChIKeyZSXSNTMXBUWFDQ-QMMMGPOBSA-N
XLogP1.42
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,5,6,7-Tetrahydro-2H-indazol-7-ol
CID 54593563
4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 57671326
4,5,6,7-tetrahydro-1H-indazol-6-ol
CID 71695301
4,5,6,7-tetrahydro-1H-indazol-5-ylmethanol
CID 55253391
6,6-Dimethyl-3-propyl-1,4,5,7-tetrahydroindazol-4-ol
CID 71032665
(4S)-4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 89105238
1,4,5,6,7,8-Hexahydrocyclopenta[f]indazol-5-ol
CID 91598643
6,6-Dimethyl-1,4,5,7-tetrahydroindazol-5-ol
CID 117935304
6-propan-2-yl-4,5,6,7-tetrahydro-1H-indazol-7-ol
CID 129296491
6-ethyl-4,5,6,7-tetrahydro-1H-indazol-7-ol
CID 129296585
ethane;6-ethyl-4,5,6,7-tetrahydro-1H-indazol-7-ol
CID 145337729
6-methyl-4,5,6,7-tetrahydro-1H-indazol-7-ol
CID 145337813

Frequently Asked Questions

What is the IUPAC name of (4S)-6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol?
The IUPAC name of (4S)-6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol (CID 95865330) is (4S)-6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol.
What is the SMILES notation for (4S)-6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol?
The canonical SMILES for (4S)-6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol is CC1(C)Cc2[nH]ncc2[C@@H](O)C1.
What is the InChIKey of (4S)-6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol?
The InChIKey is ZSXSNTMXBUWFDQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H14N2O/c1-9(2)3-7-6(5-10-11-7)8(12)4-9/h5,8,12H,3-4H2,1-2H3,(H,10,11)/t8-/m0/s1.
What are the key properties of (4S)-6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol?
(4S)-6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol has a molecular weight of 166.22 g/mol, XLogP of 1.42, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6,6-dimethyl-1,4,5,7-tetrahydroindazol-4-ol is sourced from PubChem (CID 95865330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).