4-amino-N-(2,6-difluoro-3-methylphenyl)-1-ethylpyrazole-3-carboxamide

C13H14F2N4O — CID 82816028

IUPAC4-amino-N-(2,6-difluoro-3-methylphenyl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)Nc2c(F)ccc(C)c2F)n1
InChIInChI=1S/C13H14F2N4O/c1-3-19-6-9(16)12(18-19)13(20)17-11-8(14)5-4-7(2)10(11)15/h4-6H,3,16H2,1-2H3,(H,17,20)
InChIKeyWRRMFIXFTVHHET-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.32
Rot. Bonds3

About 4-amino-N-(2,6-difluoro-3-methylphenyl)-1-ethylpyrazole-3-carboxamide

4-amino-N-(2,6-difluoro-3-methylphenyl)-1-ethylpyrazole-3-carboxamide (PubChem CID 82816028) has the molecular formula C13H14F2N4O and a molecular weight of 280.28 g/mol. Its IUPAC name is 4-amino-N-(2,6-difluoro-3-methylphenyl)-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,6-difluoro-3-methylphenyl)-1-ethylpyrazole-3-carboxamide
PubChem CID82816028
Molecular FormulaC13H14F2N4O
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name4-amino-N-(2,6-difluoro-3-methylphenyl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)Nc2c(F)ccc(C)c2F)n1
InChIInChI=1S/C13H14F2N4O/c1-3-19-6-9(16)12(18-19)13(20)17-11-8(14)5-4-7(2)10(11)15/h4-6H,3,16H2,1-2H3,(H,17,20)
InChIKeyWRRMFIXFTVHHET-UHFFFAOYSA-N
XLogP2.32
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-N-(2,6-difluoro-3-methylphenyl)-1-ethylpyrazole-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

4-amino-N-(2,3-difluorophenyl)-1-ethylpyrazole-3-carboxamide
CID 65357898
4-amino-1-ethyl-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazole-3-carboxamide
CID 19620454
4-amino-N-(2,6-dichlorophenyl)-1-ethylpyrazole-3-carboxamide
CID 65469816
4-amino-1-ethyl-N-(6-fluoro-2-pyridinyl)pyrazole-3-carboxamide
CID 116812579
4-amino-1-ethyl-N-(3-methyl-2-pyridinyl)pyrazole-3-carboxamide
CID 65359038
4-amino-N-(5-bromo-2,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide
CID 102852362
4-amino-N-(4-bromophenyl)-1-ethylpyrazole-3-carboxamide
CID 65359173
4-amino-1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 65359089
4-amino-N-(2-bromo-5-fluorophenyl)-1-ethylpyrazole-3-carboxamide
CID 107624222
4-amino-1-ethyl-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 65358840
4-amino-N-(2,6-difluoro-3-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 82799743
4-amino-N-(2-bromo-5-methylphenyl)-1-ethylpyrazole-3-carboxamide
CID 82762231

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,6-difluoro-3-methylphenyl)-1-ethylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2,6-difluoro-3-methylphenyl)-1-ethylpyrazole-3-carboxamide (CID 82816028) is 4-amino-N-(2,6-difluoro-3-methylphenyl)-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2,6-difluoro-3-methylphenyl)-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2,6-difluoro-3-methylphenyl)-1-ethylpyrazole-3-carboxamide is CCn1cc(N)c(C(=O)Nc2c(F)ccc(C)c2F)n1.
What is the InChIKey of 4-amino-N-(2,6-difluoro-3-methylphenyl)-1-ethylpyrazole-3-carboxamide?
The InChIKey is WRRMFIXFTVHHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4O/c1-3-19-6-9(16)12(18-19)13(20)17-11-8(14)5-4-7(2)10(11)15/h4-6H,3,16H2,1-2H3,(H,17,20).
What are the key properties of 4-amino-N-(2,6-difluoro-3-methylphenyl)-1-ethylpyrazole-3-carboxamide?
4-amino-N-(2,6-difluoro-3-methylphenyl)-1-ethylpyrazole-3-carboxamide has a molecular weight of 280.28 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,6-difluoro-3-methylphenyl)-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 82816028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).