1-(2-fluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-pyrrol-1-ylpyrazole-4-carboxamide

C23H20FN5O3 — CID 37438178

IUPAC1-(2-fluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCOCC(=O)Nc1cccc(NC(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)c1
InChIInChI=1S/C23H20FN5O3/c1-32-15-21(30)26-16-7-6-8-17(13-16)27-22(31)18-14-25-29(20-10-3-2-9-19(20)24)23(18)28-11-4-5-12-28/h2-14H,15H2,1H3,(H,26,30)(H,27,31)
InChIKeyBGMYZMQICNSPKT-UHFFFAOYSA-N
MW433.44 g/mol
LogP3.64
Rot. Bonds7

About 1-(2-fluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-pyrrol-1-ylpyrazole-4-carboxamide

1-(2-fluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 37438178) has the molecular formula C23H20FN5O3 and a molecular weight of 433.44 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID37438178
Molecular FormulaC23H20FN5O3
Molecular Weight433.44 g/mol
Exact Mass433.16
IUPAC Name1-(2-fluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCOCC(=O)Nc1cccc(NC(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)c1
InChIInChI=1S/C23H20FN5O3/c1-32-15-21(30)26-16-7-6-8-17(13-16)27-22(31)18-14-25-29(20-10-3-2-9-19(20)24)23(18)28-11-4-5-12-28/h2-14H,15H2,1H3,(H,26,30)(H,27,31)
InChIKeyBGMYZMQICNSPKT-UHFFFAOYSA-N
XLogP3.64
TPSA90.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(2-fluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-pyrrol-1-ylpyrazole-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

1-(2-fluorophenyl)-N-pyridin-4-yl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 39954053
N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 55902341
N-(2,5-difluorophenyl)-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 43059423
1-(2-fluorophenyl)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 60573932
1-(2-fluorophenyl)-N-(2-iodophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 43059370
methyl 4-[[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]amino]butanoate
CID 39642778
N-benzyl-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 46585795
1-(2-fluorophenyl)-5-pyrrol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 39628848
N-(3-acetamidophenyl)-1-(3,5-difluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 51053411
1-(2-fluorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 46597693
N-[2-(tert-butylamino)-2-oxoethyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 39638732
1-(3-chlorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 37438164

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 37438178) is 1-(2-fluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-pyrrol-1-ylpyrazole-4-carboxamide is COCC(=O)Nc1cccc(NC(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)c1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is BGMYZMQICNSPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O3/c1-32-15-21(30)26-16-7-6-8-17(13-16)27-22(31)18-14-25-29(20-10-3-2-9-19(20)24)23(18)28-11-4-5-12-28/h2-14H,15H2,1H3,(H,26,30)(H,27,31).
What are the key properties of 1-(2-fluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-pyrrol-1-ylpyrazole-4-carboxamide?
1-(2-fluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 433.44 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 37438178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).