1-(2-amino-4-fluoro-5-methoxyphenyl)pyrazole-4-carboxamide

C11H11FN4O2 — CID 64780821

IUPAC1-(2-amino-4-fluoro-5-methoxyphenyl)pyrazole-4-carboxamide
SMILESCOc1cc(-n2cc(C(N)=O)cn2)c(N)cc1F
InChIInChI=1S/C11H11FN4O2/c1-18-10-3-9(8(13)2-7(10)12)16-5-6(4-15-16)11(14)17/h2-5H,13H2,1H3,(H2,14,17)
InChIKeyZWMDKUBOLMMSOK-UHFFFAOYSA-N
MW250.23 g/mol
LogP0.70
Rot. Bonds3

About 1-(2-amino-4-fluoro-5-methoxyphenyl)pyrazole-4-carboxamide

1-(2-amino-4-fluoro-5-methoxyphenyl)pyrazole-4-carboxamide (PubChem CID 64780821) has the molecular formula C11H11FN4O2 and a molecular weight of 250.23 g/mol. Its IUPAC name is 1-(2-amino-4-fluoro-5-methoxyphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-amino-4-fluoro-5-methoxyphenyl)pyrazole-4-carboxamide
PubChem CID64780821
Molecular FormulaC11H11FN4O2
Molecular Weight250.23 g/mol
Exact Mass250.09
IUPAC Name1-(2-amino-4-fluoro-5-methoxyphenyl)pyrazole-4-carboxamide
SMILESCOc1cc(-n2cc(C(N)=O)cn2)c(N)cc1F
InChIInChI=1S/C11H11FN4O2/c1-18-10-3-9(8(13)2-7(10)12)16-5-6(4-15-16)11(14)17/h2-5H,13H2,1H3,(H2,14,17)
InChIKeyZWMDKUBOLMMSOK-UHFFFAOYSA-N
XLogP0.70
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(2-amino-4-fluoro-5-methoxyphenyl)pyrazole-4-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 1-(2-amino-4-fluoro-5-methoxyphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(2-amino-4-fluoro-5-methoxyphenyl)pyrazole-4-carboxamide (CID 64780821) is 1-(2-amino-4-fluoro-5-methoxyphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-amino-4-fluoro-5-methoxyphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-amino-4-fluoro-5-methoxyphenyl)pyrazole-4-carboxamide is COc1cc(-n2cc(C(N)=O)cn2)c(N)cc1F.
What is the InChIKey of 1-(2-amino-4-fluoro-5-methoxyphenyl)pyrazole-4-carboxamide?
The InChIKey is ZWMDKUBOLMMSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O2/c1-18-10-3-9(8(13)2-7(10)12)16-5-6(4-15-16)11(14)17/h2-5H,13H2,1H3,(H2,14,17).
What are the key properties of 1-(2-amino-4-fluoro-5-methoxyphenyl)pyrazole-4-carboxamide?
1-(2-amino-4-fluoro-5-methoxyphenyl)pyrazole-4-carboxamide has a molecular weight of 250.23 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-fluoro-5-methoxyphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 64780821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).