N-(2,2-difluoroethyl)-N-propyl-1H-indazole-3-carboxamide

C13H15F2N3O — CID 60608504

IUPACN-(2,2-difluoroethyl)-N-propyl-1H-indazole-3-carboxamide
SMILESCCCN(CC(F)F)C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C13H15F2N3O/c1-2-7-18(8-11(14)15)13(19)12-9-5-3-4-6-10(9)16-17-12/h3-6,11H,2,7-8H2,1H3,(H,16,17)
InChIKeyPYFDFYOPJTYGKC-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.68
Rot. Bonds5

About N-(2,2-difluoroethyl)-N-propyl-1H-indazole-3-carboxamide

N-(2,2-difluoroethyl)-N-propyl-1H-indazole-3-carboxamide (PubChem CID 60608504) has the molecular formula C13H15F2N3O and a molecular weight of 267.28 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-propyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-propyl-1H-indazole-3-carboxamide
PubChem CID60608504
Molecular FormulaC13H15F2N3O
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC NameN-(2,2-difluoroethyl)-N-propyl-1H-indazole-3-carboxamide
SMILESCCCN(CC(F)F)C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C13H15F2N3O/c1-2-7-18(8-11(14)15)13(19)12-9-5-3-4-6-10(9)16-17-12/h3-6,11H,2,7-8H2,1H3,(H,16,17)
InChIKeyPYFDFYOPJTYGKC-UHFFFAOYSA-N
XLogP2.68
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,2-difluoroethyl)-N-propyl-1H-indazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-propyl-N-(2-pyridin-2-ylethyl)-1H-indazole-3-carboxamide
CID 52768641
N-methyl-N-(2-methylbutyl)-1H-indazole-3-carboxamide
CID 63932230
[2-(dipropylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 9288074
3-[1H-indazole-3-carbonyl(methyl)amino]-2-methylpropanoic acid
CID 55008009
N-(2-hydroxyethyl)-N-(2-phenylethyl)-1H-indazole-3-carboxamide
CID 111122221
N-benzyl-N-(2-methoxyethyl)-1H-indazole-3-carboxamide
CID 31236371
N-ethyl-N-piperidin-4-yl-1H-indazole-3-carboxamide
CID 60805904
N-benzyl-4-oxo-N-propyl-3H-phthalazine-1-carboxamide
CID 31739910
N-[(4-fluorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
CID 51162817
N-(2-cyanoethyl)-N-methyl-1H-indazole-3-carboxamide
CID 60655163
N-[3-(diethylamino)-3-oxopropyl]-1H-indazole-3-carboxamide
CID 61149810
N-(2-amino-2-oxoethyl)-N-propan-2-yl-1H-indazole-3-carboxamide
CID 60636572

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-propyl-1H-indazole-3-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-propyl-1H-indazole-3-carboxamide (CID 60608504) is N-(2,2-difluoroethyl)-N-propyl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-propyl-1H-indazole-3-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-propyl-1H-indazole-3-carboxamide is CCCN(CC(F)F)C(=O)c1n[nH]c2ccccc12.
What is the InChIKey of N-(2,2-difluoroethyl)-N-propyl-1H-indazole-3-carboxamide?
The InChIKey is PYFDFYOPJTYGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O/c1-2-7-18(8-11(14)15)13(19)12-9-5-3-4-6-10(9)16-17-12/h3-6,11H,2,7-8H2,1H3,(H,16,17).
What are the key properties of N-(2,2-difluoroethyl)-N-propyl-1H-indazole-3-carboxamide?
N-(2,2-difluoroethyl)-N-propyl-1H-indazole-3-carboxamide has a molecular weight of 267.28 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-propyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 60608504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).