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

C11H11F2N3O — CID 172750598

IUPAC3-(difluoromethyl)-N,1-dimethylindazole-5-carboxamide
SMILESCNC(=O)c1ccc2c(c1)c(C(F)F)nn2C
InChIInChI=1S/C11H11F2N3O/c1-14-11(17)6-3-4-8-7(5-6)9(10(12)13)15-16(8)2/h3-5,10H,1-2H3,(H,14,17)
InChIKeyKHYTWAHPVHJQSI-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.87
Rot. Bonds2

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

3-(difluoromethyl)-N,1-dimethylindazole-5-carboxamide (PubChem CID 172750598) has the molecular formula C11H11F2N3O and a molecular weight of 239.23 g/mol. Its IUPAC name is 3-(difluoromethyl)-N,1-dimethylindazole-5-carboxamide.

Molecular Properties

Compound Name3-(difluoromethyl)-N,1-dimethylindazole-5-carboxamide
PubChem CID172750598
Molecular FormulaC11H11F2N3O
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name3-(difluoromethyl)-N,1-dimethylindazole-5-carboxamide
SMILESCNC(=O)c1ccc2c(c1)c(C(F)F)nn2C
InChIInChI=1S/C11H11F2N3O/c1-14-11(17)6-3-4-8-7(5-6)9(10(12)13)15-16(8)2/h3-5,10H,1-2H3,(H,14,17)
InChIKeyKHYTWAHPVHJQSI-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N,1-dimethylindazole-5-carboxamide?
The IUPAC name of 3-(difluoromethyl)-N,1-dimethylindazole-5-carboxamide (CID 172750598) is 3-(difluoromethyl)-N,1-dimethylindazole-5-carboxamide.
What is the SMILES notation for 3-(difluoromethyl)-N,1-dimethylindazole-5-carboxamide?
The canonical SMILES for 3-(difluoromethyl)-N,1-dimethylindazole-5-carboxamide is CNC(=O)c1ccc2c(c1)c(C(F)F)nn2C.
What is the InChIKey of 3-(difluoromethyl)-N,1-dimethylindazole-5-carboxamide?
The InChIKey is KHYTWAHPVHJQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c1-14-11(17)6-3-4-8-7(5-6)9(10(12)13)15-16(8)2/h3-5,10H,1-2H3,(H,14,17).
What are the key properties of 3-(difluoromethyl)-N,1-dimethylindazole-5-carboxamide?
3-(difluoromethyl)-N,1-dimethylindazole-5-carboxamide has a molecular weight of 239.23 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N,1-dimethylindazole-5-carboxamide is sourced from PubChem (CID 172750598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).