4-amino-3-ethyl-N-(6-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxamide

C12H14FN5O — CID 116812548

IUPAC4-amino-3-ethyl-N-(6-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)Nc2cccc(F)n2)c1N
InChIInChI=1S/C12H14FN5O/c1-3-7-10(14)11(18(2)17-7)12(19)16-9-6-4-5-8(13)15-9/h4-6H,3,14H2,1-2H3,(H,15,16,19)
InChIKeyVTKNNFRCQRTXOX-UHFFFAOYSA-N
MW263.28 g/mol
LogP1.35
Rot. Bonds3

About 4-amino-3-ethyl-N-(6-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxamide

4-amino-3-ethyl-N-(6-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxamide (PubChem CID 116812548) has the molecular formula C12H14FN5O and a molecular weight of 263.28 g/mol. Its IUPAC name is 4-amino-3-ethyl-N-(6-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-ethyl-N-(6-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxamide
PubChem CID116812548
Molecular FormulaC12H14FN5O
Molecular Weight263.28 g/mol
Exact Mass263.12
IUPAC Name4-amino-3-ethyl-N-(6-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)Nc2cccc(F)n2)c1N
InChIInChI=1S/C12H14FN5O/c1-3-7-10(14)11(18(2)17-7)12(19)16-9-6-4-5-8(13)15-9/h4-6H,3,14H2,1-2H3,(H,15,16,19)
InChIKeyVTKNNFRCQRTXOX-UHFFFAOYSA-N
XLogP1.35
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-amino-3-ethyl-N-(6-fluoro-2-pyridinyl)-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

Related Compounds

4-amino-3-ethyl-1-methyl-N-(3,4,5-trifluorophenyl)pyrazole-5-carboxamide
CID 66117392
4-amino-N-(5-bromo-2-pyridinyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66125685
4-amino-N-(2,6-difluoro-3-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 82799743
4-amino-3-ethyl-N-[(3-fluorophenyl)methyl]-1-methylpyrazole-5-carboxamide
CID 66122977
4-amino-3-ethyl-1-methyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide
CID 66124158
4-amino-3-ethyl-N-[2-(2-fluorophenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 66123361
4-amino-1-ethyl-N-(6-fluoro-2-pyridinyl)pyrazole-3-carboxamide
CID 116812579
4-amino-3-ethyl-1-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide
CID 66123358
4-amino-N-(2-bromo-4,6-difluorophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66124523
4-amino-3-ethyl-N-[2-(methoxymethyl)phenyl]-1-methylpyrazole-5-carboxamide
CID 66117385
4-amino-N-(1,3-dimethylpyrazol-4-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 102803235
4-amino-3-ethyl-1-methyl-N-(4-methyl-3-pyridinyl)pyrazole-5-carboxamide
CID 66117820

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-ethyl-N-(6-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-3-ethyl-N-(6-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxamide (CID 116812548) is 4-amino-3-ethyl-N-(6-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-ethyl-N-(6-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-3-ethyl-N-(6-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxamide is CCc1nn(C)c(C(=O)Nc2cccc(F)n2)c1N.
What is the InChIKey of 4-amino-3-ethyl-N-(6-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is VTKNNFRCQRTXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5O/c1-3-7-10(14)11(18(2)17-7)12(19)16-9-6-4-5-8(13)15-9/h4-6H,3,14H2,1-2H3,(H,15,16,19).
What are the key properties of 4-amino-3-ethyl-N-(6-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxamide?
4-amino-3-ethyl-N-(6-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 263.28 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethyl-N-(6-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 116812548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).