3-(difluoromethyl)-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazol-7-ol

C12H18F2N2O — CID 71204663

IUPAC3-(difluoromethyl)-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazol-7-ol
SMILESCC(C)n1nc(C(F)F)c2c1C(C)(O)CCC2
InChIInChI=1S/C12H18F2N2O/c1-7(2)16-10-8(9(15-16)11(13)14)5-4-6-12(10,3)17/h7,11,17H,4-6H2,1-3H3
InChIKeyDLZSXWJBEOPOKL-UHFFFAOYSA-N
MW244.28 g/mol
LogP2.95
Rot. Bonds2

About 3-(difluoromethyl)-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazol-7-ol

3-(difluoromethyl)-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazol-7-ol (PubChem CID 71204663) has the molecular formula C12H18F2N2O and a molecular weight of 244.28 g/mol. Its IUPAC name is 3-(difluoromethyl)-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazol-7-ol.

Molecular Properties

Compound Name3-(difluoromethyl)-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazol-7-ol
PubChem CID71204663
Molecular FormulaC12H18F2N2O
Molecular Weight244.28 g/mol
Exact Mass244.14
IUPAC Name3-(difluoromethyl)-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazol-7-ol
SMILESCC(C)n1nc(C(F)F)c2c1C(C)(O)CCC2
InChIInChI=1S/C12H18F2N2O/c1-7(2)16-10-8(9(15-16)11(13)14)5-4-6-12(10,3)17/h7,11,17H,4-6H2,1-3H3
InChIKeyDLZSXWJBEOPOKL-UHFFFAOYSA-N
XLogP2.95
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazol-7-ol?
The IUPAC name of 3-(difluoromethyl)-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazol-7-ol (CID 71204663) is 3-(difluoromethyl)-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazol-7-ol.
What is the SMILES notation for 3-(difluoromethyl)-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazol-7-ol?
The canonical SMILES for 3-(difluoromethyl)-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazol-7-ol is CC(C)n1nc(C(F)F)c2c1C(C)(O)CCC2.
What is the InChIKey of 3-(difluoromethyl)-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazol-7-ol?
The InChIKey is DLZSXWJBEOPOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O/c1-7(2)16-10-8(9(15-16)11(13)14)5-4-6-12(10,3)17/h7,11,17H,4-6H2,1-3H3.
What are the key properties of 3-(difluoromethyl)-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazol-7-ol?
3-(difluoromethyl)-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazol-7-ol has a molecular weight of 244.28 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-7-methyl-1-propan-2-yl-5,6-dihydro-4H-indazol-7-ol is sourced from PubChem (CID 71204663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).