5-amino-3-(4-fluoroanilino)-N-(4-fluorophenyl)-1H-pyrazole-4-carboxamide

C16H13F2N5O — CID 164608611

IUPAC5-amino-3-(4-fluoroanilino)-N-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
SMILESNc1[nH]nc(Nc2ccc(F)cc2)c1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H13F2N5O/c17-9-1-5-11(6-2-9)20-15-13(14(19)22-23-15)16(24)21-12-7-3-10(18)4-8-12/h1-8H,(H,21,24)(H4,19,20,22,23)
InChIKeyPYBZPLRKHKHHEX-UHFFFAOYSA-N
MW329.31 g/mol
LogP3.27
Rot. Bonds4

About 5-amino-3-(4-fluoroanilino)-N-(4-fluorophenyl)-1H-pyrazole-4-carboxamide

5-amino-3-(4-fluoroanilino)-N-(4-fluorophenyl)-1H-pyrazole-4-carboxamide (PubChem CID 164608611) has the molecular formula C16H13F2N5O and a molecular weight of 329.31 g/mol. Its IUPAC name is 5-amino-3-(4-fluoroanilino)-N-(4-fluorophenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-(4-fluoroanilino)-N-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
PubChem CID164608611
Molecular FormulaC16H13F2N5O
Molecular Weight329.31 g/mol
Exact Mass329.11
IUPAC Name5-amino-3-(4-fluoroanilino)-N-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
SMILESNc1[nH]nc(Nc2ccc(F)cc2)c1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H13F2N5O/c17-9-1-5-11(6-2-9)20-15-13(14(19)22-23-15)16(24)21-12-7-3-10(18)4-8-12/h1-8H,(H,21,24)(H4,19,20,22,23)
InChIKeyPYBZPLRKHKHHEX-UHFFFAOYSA-N
XLogP3.27
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 53.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 5-amino-3-(4-fluoroanilino)-N-(4-fluorophenyl)-1H-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 5-amino-3-(4-fluoroanilino)-N-(4-fluorophenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-(4-fluoroanilino)-N-(4-fluorophenyl)-1H-pyrazole-4-carboxamide (CID 164608611) is 5-amino-3-(4-fluoroanilino)-N-(4-fluorophenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-(4-fluoroanilino)-N-(4-fluorophenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-(4-fluoroanilino)-N-(4-fluorophenyl)-1H-pyrazole-4-carboxamide is Nc1[nH]nc(Nc2ccc(F)cc2)c1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 5-amino-3-(4-fluoroanilino)-N-(4-fluorophenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is PYBZPLRKHKHHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N5O/c17-9-1-5-11(6-2-9)20-15-13(14(19)22-23-15)16(24)21-12-7-3-10(18)4-8-12/h1-8H,(H,21,24)(H4,19,20,22,23).
What are the key properties of 5-amino-3-(4-fluoroanilino)-N-(4-fluorophenyl)-1H-pyrazole-4-carboxamide?
5-amino-3-(4-fluoroanilino)-N-(4-fluorophenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 329.31 g/mol, XLogP of 3.27, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(4-fluoroanilino)-N-(4-fluorophenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 164608611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).