4-(1-benzylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-6-[4-(5,5,5-trifluoropentyl)phenyl]-1H-pyridin-2-one

C27H24F3N7O — CID 137279886

IUPAC4-(1-benzylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-6-[4-(5,5,5-trifluoropentyl)phenyl]-1H-pyridin-2-one
SMILESO=c1[nH]c(-c2ccc(CCCCC(F)(F)F)cc2)cc(-c2ccn(Cc3ccccc3)n2)c1-c1nn[nH]n1
InChIInChI=1S/C27H24F3N7O/c28-27(29,30)14-5-4-6-18-9-11-20(12-10-18)23-16-21(24(26(38)31-23)25-32-35-36-33-25)22-13-15-37(34-22)17-19-7-2-1-3-8-19/h1-3,7-13,15-16H,4-6,14,17H2,(H,31,38)(H,32,33,35,36)
InChIKeyFKJZLIWLLNHKRU-UHFFFAOYSA-N
MW519.53 g/mol
LogP5.41
Rot. Bonds9

About 4-(1-benzylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-6-[4-(5,5,5-trifluoropentyl)phenyl]-1H-pyridin-2-one

4-(1-benzylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-6-[4-(5,5,5-trifluoropentyl)phenyl]-1H-pyridin-2-one (PubChem CID 137279886) has the molecular formula C27H24F3N7O and a molecular weight of 519.53 g/mol. Its IUPAC name is 4-(1-benzylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-6-[4-(5,5,5-trifluoropentyl)phenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(1-benzylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-6-[4-(5,5,5-trifluoropentyl)phenyl]-1H-pyridin-2-one
PubChem CID137279886
Molecular FormulaC27H24F3N7O
Molecular Weight519.53 g/mol
Exact Mass519.20
IUPAC Name4-(1-benzylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-6-[4-(5,5,5-trifluoropentyl)phenyl]-1H-pyridin-2-one
SMILESO=c1[nH]c(-c2ccc(CCCCC(F)(F)F)cc2)cc(-c2ccn(Cc3ccccc3)n2)c1-c1nn[nH]n1
InChIInChI=1S/C27H24F3N7O/c28-27(29,30)14-5-4-6-18-9-11-20(12-10-18)23-16-21(24(26(38)31-23)25-32-35-36-33-25)22-13-15-37(34-22)17-19-7-2-1-3-8-19/h1-3,7-13,15-16H,4-6,14,17H2,(H,31,38)(H,32,33,35,36)
InChIKeyFKJZLIWLLNHKRU-UHFFFAOYSA-N
XLogP5.41
TPSA105.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.53
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(1-benzylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-6-[4-(5,5,5-trifluoropentyl)phenyl]-1H-pyridin-2-one 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

4-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-(2H-tetrazol-5-yl)-6-[4-(6,6,6-trifluorohexoxy)phenyl]-1H-pyridin-2-one
CID 137179219
(2S)-4-(1-benzylpyrazol-3-yl)-2-[2-fluoro-4-(5,5,5-trifluoropentyl)phenyl]-5-(2H-tetrazol-5-yl)-2-(trifluoromethyl)-1,3-dihydropyridin-6-one
CID 162612160
4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-(4-hexoxyphenyl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one
CID 137226607
6-[2-fluoro-4-(4,4,4-trifluorobutoxy)phenyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one
CID 137179204
2-[2-fluoro-4-(5,5,5-trifluoropentyl)phenyl]-4-[1-(2-methylpropyl)pyrazol-3-yl]-5-(2H-tetrazol-5-yl)-2-(trifluoromethyl)-1,3-dihydropyridin-6-one
CID 130453032
4-(1-methylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-6-[4-(5,5,5-trifluoropentyl)phenyl]-1,2-dihydropyridin-2-ol
CID 137279828
3-(2H-tetrazol-5-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohepta[b]pyrrol-2-one
CID 10429282
4-[(3-phenylpyrazol-1-yl)methyl]phenol
CID 59752932
5-[2-[4-[(4-butyltriazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 14987334
2-(1-benzylpyrazol-3-yl)-5-pentylbenzene-1,3-diol
CID 162346434
2-butyl-4-(2-phenylethyl)-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6H-imidazo[4,5-d]pyridazin-7-one
CID 67947189
3-(1-benzylpyrazol-3-yl)pyridine
CID 99964671

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-6-[4-(5,5,5-trifluoropentyl)phenyl]-1H-pyridin-2-one?
The IUPAC name of 4-(1-benzylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-6-[4-(5,5,5-trifluoropentyl)phenyl]-1H-pyridin-2-one (CID 137279886) is 4-(1-benzylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-6-[4-(5,5,5-trifluoropentyl)phenyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-(1-benzylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-6-[4-(5,5,5-trifluoropentyl)phenyl]-1H-pyridin-2-one?
The canonical SMILES for 4-(1-benzylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-6-[4-(5,5,5-trifluoropentyl)phenyl]-1H-pyridin-2-one is O=c1[nH]c(-c2ccc(CCCCC(F)(F)F)cc2)cc(-c2ccn(Cc3ccccc3)n2)c1-c1nn[nH]n1.
What is the InChIKey of 4-(1-benzylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-6-[4-(5,5,5-trifluoropentyl)phenyl]-1H-pyridin-2-one?
The InChIKey is FKJZLIWLLNHKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3N7O/c28-27(29,30)14-5-4-6-18-9-11-20(12-10-18)23-16-21(24(26(38)31-23)25-32-35-36-33-25)22-13-15-37(34-22)17-19-7-2-1-3-8-19/h1-3,7-13,15-16H,4-6,14,17H2,(H,31,38)(H,32,33,35,36).
What are the key properties of 4-(1-benzylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-6-[4-(5,5,5-trifluoropentyl)phenyl]-1H-pyridin-2-one?
4-(1-benzylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-6-[4-(5,5,5-trifluoropentyl)phenyl]-1H-pyridin-2-one has a molecular weight of 519.53 g/mol, XLogP of 5.41, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzylpyrazol-3-yl)-3-(2H-tetrazol-5-yl)-6-[4-(5,5,5-trifluoropentyl)phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 137279886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).