3-[(4-fluorophenyl)methylamino]-N-phenyl-1-pyridin-2-ylpyrazole-4-carboxamide

C22H18FN5O — CID 142770564

IUPAC3-[(4-fluorophenyl)methylamino]-N-phenyl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESO=C(Nc1ccccc1)c1cn(-c2ccccn2)nc1NCc1ccc(F)cc1
InChIInChI=1S/C22H18FN5O/c23-17-11-9-16(10-12-17)14-25-21-19(22(29)26-18-6-2-1-3-7-18)15-28(27-21)20-8-4-5-13-24-20/h1-13,15H,14H2,(H,25,27)(H,26,29)
InChIKeyWEIXNMHRJSNHHG-UHFFFAOYSA-N
MW387.42 g/mol
LogP4.27
Rot. Bonds6

About 3-[(4-fluorophenyl)methylamino]-N-phenyl-1-pyridin-2-ylpyrazole-4-carboxamide

3-[(4-fluorophenyl)methylamino]-N-phenyl-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 142770564) has the molecular formula C22H18FN5O and a molecular weight of 387.42 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methylamino]-N-phenyl-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methylamino]-N-phenyl-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID142770564
Molecular FormulaC22H18FN5O
Molecular Weight387.42 g/mol
Exact Mass387.15
IUPAC Name3-[(4-fluorophenyl)methylamino]-N-phenyl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESO=C(Nc1ccccc1)c1cn(-c2ccccn2)nc1NCc1ccc(F)cc1
InChIInChI=1S/C22H18FN5O/c23-17-11-9-16(10-12-17)14-25-21-19(22(29)26-18-6-2-1-3-7-18)15-28(27-21)20-8-4-5-13-24-20/h1-13,15H,14H2,(H,25,27)(H,26,29)
InChIKeyWEIXNMHRJSNHHG-UHFFFAOYSA-N
XLogP4.27
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-fluorophenyl)methylamino]-1-pyridin-2-ylpyrazole-4-carbaldehyde
CID 88898838
1-[3-[(4-fluorophenyl)methylamino]-1-phenylpyrazol-4-yl]ethanone
CID 142770595
2-chloro-5-[[3-(4-fluorophenyl)-1-pyridin-2-ylpyrazole-4-carbonyl]amino]benzoic acid
CID 143451800
3-(4-fluorophenyl)-N-[4-fluoro-3-(pyridine-2-carbonyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 143452195
4-fluoro-N-[4-[[[6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-yl]amino]methyl]phenyl]benzamide
CID 25024532
4-[4-[[1-pyridin-2-yl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]piperidine-1-carboxylic acid
CID 66738687
2-[4-[(4-fluorophenyl)methylamino]phenyl]-N-phenylacetamide
CID 42852473
2-fluoro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]benzamide
CID 113027089
5-[2-(4-fluorophenyl)ethylamino]-N-phenylpyridine-2-carboxamide
CID 109192413
N-(3-phenoxyphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 20773471
4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]benzamide
CID 112982456
N-(4-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191663

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methylamino]-N-phenyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of 3-[(4-fluorophenyl)methylamino]-N-phenyl-1-pyridin-2-ylpyrazole-4-carboxamide (CID 142770564) is 3-[(4-fluorophenyl)methylamino]-N-phenyl-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 3-[(4-fluorophenyl)methylamino]-N-phenyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 3-[(4-fluorophenyl)methylamino]-N-phenyl-1-pyridin-2-ylpyrazole-4-carboxamide is O=C(Nc1ccccc1)c1cn(-c2ccccn2)nc1NCc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methylamino]-N-phenyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is WEIXNMHRJSNHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O/c23-17-11-9-16(10-12-17)14-25-21-19(22(29)26-18-6-2-1-3-7-18)15-28(27-21)20-8-4-5-13-24-20/h1-13,15H,14H2,(H,25,27)(H,26,29).
What are the key properties of 3-[(4-fluorophenyl)methylamino]-N-phenyl-1-pyridin-2-ylpyrazole-4-carboxamide?
3-[(4-fluorophenyl)methylamino]-N-phenyl-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 387.42 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methylamino]-N-phenyl-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 142770564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).