N-[4-fluoro-3-[methyl(prop-2-enoyl)amino]phenyl]-1-(2-fluorophenyl)pyrazole-4-carboxamide

C20H16F2N4O2 — CID 154645599

IUPACN-[4-fluoro-3-[methyl(prop-2-enoyl)amino]phenyl]-1-(2-fluorophenyl)pyrazole-4-carboxamide
SMILESC=CC(=O)N(C)c1cc(NC(=O)c2cnn(-c3ccccc3F)c2)ccc1F
InChIInChI=1S/C20H16F2N4O2/c1-3-19(27)25(2)18-10-14(8-9-16(18)22)24-20(28)13-11-23-26(12-13)17-7-5-4-6-15(17)21/h3-12H,1H2,2H3,(H,24,28)
InChIKeyXLSMALYCAMFTJZ-UHFFFAOYSA-N
MW382.37 g/mol
LogP3.55
Rot. Bonds5

About N-[4-fluoro-3-[methyl(prop-2-enoyl)amino]phenyl]-1-(2-fluorophenyl)pyrazole-4-carboxamide

N-[4-fluoro-3-[methyl(prop-2-enoyl)amino]phenyl]-1-(2-fluorophenyl)pyrazole-4-carboxamide (PubChem CID 154645599) has the molecular formula C20H16F2N4O2 and a molecular weight of 382.37 g/mol. Its IUPAC name is N-[4-fluoro-3-[methyl(prop-2-enoyl)amino]phenyl]-1-(2-fluorophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-[methyl(prop-2-enoyl)amino]phenyl]-1-(2-fluorophenyl)pyrazole-4-carboxamide
PubChem CID154645599
Molecular FormulaC20H16F2N4O2
Molecular Weight382.37 g/mol
Exact Mass382.12
IUPAC NameN-[4-fluoro-3-[methyl(prop-2-enoyl)amino]phenyl]-1-(2-fluorophenyl)pyrazole-4-carboxamide
SMILESC=CC(=O)N(C)c1cc(NC(=O)c2cnn(-c3ccccc3F)c2)ccc1F
InChIInChI=1S/C20H16F2N4O2/c1-3-19(27)25(2)18-10-14(8-9-16(18)22)24-20(28)13-11-23-26(12-13)17-7-5-4-6-15(17)21/h3-12H,1H2,2H3,(H,24,28)
InChIKeyXLSMALYCAMFTJZ-UHFFFAOYSA-N
XLogP3.55
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[4-fluoro-3-[methyl(prop-2-enoyl)amino]phenyl]-1-(2-fluorophenyl)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

Related Compounds

N-(3,5-difluorophenyl)-1-(2-fluorophenyl)pyrazole-4-carboxamide
CID 94828526
1-(2-fluorophenyl)-N-[4-(methylsulfamoyl)phenyl]pyrazole-4-carboxamide
CID 95348121
1-ethyl-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyrazole-4-carboxamide
CID 71921815
N-(3-fluoro-4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9210715
1-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide
CID 94828462
1-[1-(2-fluorophenyl)pyrazol-4-yl]propan-1-one
CID 134608302
N-(3-chloro-4-methylphenyl)-1-(2-fluorophenyl)-N-methylpyrazole-4-carboxamide
CID 86946422
1-(4-chlorophenyl)-N-[4-(dimethylamino)-3-methylphenyl]pyrazole-4-carboxamide
CID 55774788
N-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]prop-2-enamide
CID 166408288
N-[1-(2-fluorophenyl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 75378606
1-(2-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide
CID 111460687
2-amino-6-chloro-N-[1-(2-fluorophenyl)pyrazol-4-yl]pyridine-4-carboxamide
CID 166234236

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-[methyl(prop-2-enoyl)amino]phenyl]-1-(2-fluorophenyl)pyrazole-4-carboxamide?
The IUPAC name of N-[4-fluoro-3-[methyl(prop-2-enoyl)amino]phenyl]-1-(2-fluorophenyl)pyrazole-4-carboxamide (CID 154645599) is N-[4-fluoro-3-[methyl(prop-2-enoyl)amino]phenyl]-1-(2-fluorophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[4-fluoro-3-[methyl(prop-2-enoyl)amino]phenyl]-1-(2-fluorophenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[4-fluoro-3-[methyl(prop-2-enoyl)amino]phenyl]-1-(2-fluorophenyl)pyrazole-4-carboxamide is C=CC(=O)N(C)c1cc(NC(=O)c2cnn(-c3ccccc3F)c2)ccc1F.
What is the InChIKey of N-[4-fluoro-3-[methyl(prop-2-enoyl)amino]phenyl]-1-(2-fluorophenyl)pyrazole-4-carboxamide?
The InChIKey is XLSMALYCAMFTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O2/c1-3-19(27)25(2)18-10-14(8-9-16(18)22)24-20(28)13-11-23-26(12-13)17-7-5-4-6-15(17)21/h3-12H,1H2,2H3,(H,24,28).
What are the key properties of N-[4-fluoro-3-[methyl(prop-2-enoyl)amino]phenyl]-1-(2-fluorophenyl)pyrazole-4-carboxamide?
N-[4-fluoro-3-[methyl(prop-2-enoyl)amino]phenyl]-1-(2-fluorophenyl)pyrazole-4-carboxamide has a molecular weight of 382.37 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-[methyl(prop-2-enoyl)amino]phenyl]-1-(2-fluorophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 154645599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).