3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazol-4-ol

C10H16N2O — CID 15192804

IUPAC3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazol-4-ol
SMILESCC(C)c1n[nH]c2c1C(O)CCC2
InChIInChI=1S/C10H16N2O/c1-6(2)10-9-7(11-12-10)4-3-5-8(9)13/h6,8,13H,3-5H2,1-2H3,(H,11,12)
InChIKeyLVFCKTYCWOREQP-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.90
Rot. Bonds1

About 3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazol-4-ol

3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazol-4-ol (PubChem CID 15192804) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazol-4-ol.

Molecular Properties

Compound Name3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazol-4-ol
PubChem CID15192804
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazol-4-ol
SMILESCC(C)c1n[nH]c2c1C(O)CCC2
InChIInChI=1S/C10H16N2O/c1-6(2)10-9-7(11-12-10)4-3-5-8(9)13/h6,8,13H,3-5H2,1-2H3,(H,11,12)
InChIKeyLVFCKTYCWOREQP-UHFFFAOYSA-N
XLogP1.90
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanol
CID 21787796
4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 57671326
(4S)-5,5-difluoro-3-(trifluoromethyl)-1,4,6,7-tetrahydroindazol-4-ol
CID 168250598
3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 168250716
5,5-Difluoro-3-(trifluoromethyl)-1,4,6,7-tetrahydroindazol-4-ol
CID 168250813
(4-fluoro-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanol
CID 105434428
3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-6-ol
CID 162564217
2-fluoro-1-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethan-1-ol
CID 165626280
2,2-difluoro-1-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethan-1-ol
CID 165630779
(1R)-2,2,2-trifluoro-1-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethan-1-ol
CID 165630783
1,1,1-trifluoro-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-2-ol
CID 165650029
(1S)-2,2,2-trifluoro-1-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethan-1-ol
CID 165695486

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazol-4-ol?
The IUPAC name of 3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazol-4-ol (CID 15192804) is 3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazol-4-ol.
What is the SMILES notation for 3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazol-4-ol?
The canonical SMILES for 3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazol-4-ol is CC(C)c1n[nH]c2c1C(O)CCC2.
What is the InChIKey of 3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazol-4-ol?
The InChIKey is LVFCKTYCWOREQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-6(2)10-9-7(11-12-10)4-3-5-8(9)13/h6,8,13H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazol-4-ol?
3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazol-4-ol has a molecular weight of 180.25 g/mol, XLogP of 1.90, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazol-4-ol is sourced from PubChem (CID 15192804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).