4-amino-N-(2,6-difluoro-3-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide

C14H16F2N4O — CID 82799743

IUPAC4-amino-N-(2,6-difluoro-3-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)Nc2c(F)ccc(C)c2F)c1N
InChIInChI=1S/C14H16F2N4O/c1-4-9-11(17)13(20(3)19-9)14(21)18-12-8(15)6-5-7(2)10(12)16/h5-6H,4,17H2,1-3H3,(H,18,21)
InChIKeyOAKRYGOSUDSENI-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.40
Rot. Bonds3

About 4-amino-N-(2,6-difluoro-3-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide

4-amino-N-(2,6-difluoro-3-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 82799743) has the molecular formula C14H16F2N4O and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-amino-N-(2,6-difluoro-3-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,6-difluoro-3-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
PubChem CID82799743
Molecular FormulaC14H16F2N4O
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name4-amino-N-(2,6-difluoro-3-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)Nc2c(F)ccc(C)c2F)c1N
InChIInChI=1S/C14H16F2N4O/c1-4-9-11(17)13(20(3)19-9)14(21)18-12-8(15)6-5-7(2)10(12)16/h5-6H,4,17H2,1-3H3,(H,18,21)
InChIKeyOAKRYGOSUDSENI-UHFFFAOYSA-N
XLogP2.40
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-N-(2,6-difluoro-3-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,6-difluoro-3-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2,6-difluoro-3-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide (CID 82799743) is 4-amino-N-(2,6-difluoro-3-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2,6-difluoro-3-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2,6-difluoro-3-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide is CCc1nn(C)c(C(=O)Nc2c(F)ccc(C)c2F)c1N.
What is the InChIKey of 4-amino-N-(2,6-difluoro-3-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is OAKRYGOSUDSENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O/c1-4-9-11(17)13(20(3)19-9)14(21)18-12-8(15)6-5-7(2)10(12)16/h5-6H,4,17H2,1-3H3,(H,18,21).
What are the key properties of 4-amino-N-(2,6-difluoro-3-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
4-amino-N-(2,6-difluoro-3-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.40, 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)-3-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 82799743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).