3-(difluoromethyl)-1-methyl-4,5,6,7-tetrahydroindazol-7-ol

C9H12F2N2O — CID 90167577

IUPAC3-(difluoromethyl)-1-methyl-4,5,6,7-tetrahydroindazol-7-ol
SMILESCn1nc(C(F)F)c2c1C(O)CCC2
InChIInChI=1S/C9H12F2N2O/c1-13-8-5(3-2-4-6(8)14)7(12-13)9(10)11/h6,9,14H,2-4H2,1H3
InChIKeyGRBGRMWOMIXRED-UHFFFAOYSA-N
MW202.20 g/mol
LogP1.73
Rot. Bonds1

About 3-(difluoromethyl)-1-methyl-4,5,6,7-tetrahydroindazol-7-ol

3-(difluoromethyl)-1-methyl-4,5,6,7-tetrahydroindazol-7-ol (PubChem CID 90167577) has the molecular formula C9H12F2N2O and a molecular weight of 202.20 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-methyl-4,5,6,7-tetrahydroindazol-7-ol.

Molecular Properties

Compound Name3-(difluoromethyl)-1-methyl-4,5,6,7-tetrahydroindazol-7-ol
PubChem CID90167577
Molecular FormulaC9H12F2N2O
Molecular Weight202.20 g/mol
Exact Mass202.09
IUPAC Name3-(difluoromethyl)-1-methyl-4,5,6,7-tetrahydroindazol-7-ol
SMILESCn1nc(C(F)F)c2c1C(O)CCC2
InChIInChI=1S/C9H12F2N2O/c1-13-8-5(3-2-4-6(8)14)7(12-13)9(10)11/h6,9,14H,2-4H2,1H3
InChIKeyGRBGRMWOMIXRED-UHFFFAOYSA-N
XLogP1.73
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-methyl-4,5,6,7-tetrahydroindazol-7-ol?
The IUPAC name of 3-(difluoromethyl)-1-methyl-4,5,6,7-tetrahydroindazol-7-ol (CID 90167577) is 3-(difluoromethyl)-1-methyl-4,5,6,7-tetrahydroindazol-7-ol.
What is the SMILES notation for 3-(difluoromethyl)-1-methyl-4,5,6,7-tetrahydroindazol-7-ol?
The canonical SMILES for 3-(difluoromethyl)-1-methyl-4,5,6,7-tetrahydroindazol-7-ol is Cn1nc(C(F)F)c2c1C(O)CCC2.
What is the InChIKey of 3-(difluoromethyl)-1-methyl-4,5,6,7-tetrahydroindazol-7-ol?
The InChIKey is GRBGRMWOMIXRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O/c1-13-8-5(3-2-4-6(8)14)7(12-13)9(10)11/h6,9,14H,2-4H2,1H3.
What are the key properties of 3-(difluoromethyl)-1-methyl-4,5,6,7-tetrahydroindazol-7-ol?
3-(difluoromethyl)-1-methyl-4,5,6,7-tetrahydroindazol-7-ol has a molecular weight of 202.20 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-methyl-4,5,6,7-tetrahydroindazol-7-ol is sourced from PubChem (CID 90167577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).