1-(difluoromethyl)-N,3-dimethylindazole-5-carboxamide

C11H11F2N3O — CID 172836256

IUPAC1-(difluoromethyl)-N,3-dimethylindazole-5-carboxamide
SMILESCNC(=O)c1ccc2c(c1)c(C)nn2C(F)F
InChIInChI=1S/C11H11F2N3O/c1-6-8-5-7(10(17)14-2)3-4-9(8)16(15-6)11(12)13/h3-5,11H,1-2H3,(H,14,17)
InChIKeyWENSLBXOPPIREN-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.10
Rot. Bonds2

About 1-(difluoromethyl)-N,3-dimethylindazole-5-carboxamide

1-(difluoromethyl)-N,3-dimethylindazole-5-carboxamide (PubChem CID 172836256) has the molecular formula C11H11F2N3O and a molecular weight of 239.23 g/mol. Its IUPAC name is 1-(difluoromethyl)-N,3-dimethylindazole-5-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N,3-dimethylindazole-5-carboxamide
PubChem CID172836256
Molecular FormulaC11H11F2N3O
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name1-(difluoromethyl)-N,3-dimethylindazole-5-carboxamide
SMILESCNC(=O)c1ccc2c(c1)c(C)nn2C(F)F
InChIInChI=1S/C11H11F2N3O/c1-6-8-5-7(10(17)14-2)3-4-9(8)16(15-6)11(12)13/h3-5,11H,1-2H3,(H,14,17)
InChIKeyWENSLBXOPPIREN-UHFFFAOYSA-N
XLogP2.10
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N,3-dimethylindazole-5-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N,3-dimethylindazole-5-carboxamide (CID 172836256) is 1-(difluoromethyl)-N,3-dimethylindazole-5-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N,3-dimethylindazole-5-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N,3-dimethylindazole-5-carboxamide is CNC(=O)c1ccc2c(c1)c(C)nn2C(F)F.
What is the InChIKey of 1-(difluoromethyl)-N,3-dimethylindazole-5-carboxamide?
The InChIKey is WENSLBXOPPIREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c1-6-8-5-7(10(17)14-2)3-4-9(8)16(15-6)11(12)13/h3-5,11H,1-2H3,(H,14,17).
What are the key properties of 1-(difluoromethyl)-N,3-dimethylindazole-5-carboxamide?
1-(difluoromethyl)-N,3-dimethylindazole-5-carboxamide has a molecular weight of 239.23 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N,3-dimethylindazole-5-carboxamide is sourced from PubChem (CID 172836256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).