4-(5-fluoro-2-methylphenyl)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazol-5-one

C12H10FN5O — CID 50979013

IUPAC4-(5-fluoro-2-methylphenyl)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazol-5-one
SMILESCc1ccc(F)cc1-n1c(-c2ccn[nH]2)n[nH]c1=O
InChIInChI=1S/C12H10FN5O/c1-7-2-3-8(13)6-10(7)18-11(16-17-12(18)19)9-4-5-14-15-9/h2-6H,1H3,(H,14,15)(H,17,19)
InChIKeyOHDLGWKDLKFVGG-UHFFFAOYSA-N
MW259.24 g/mol
LogP1.40
Rot. Bonds2

About 4-(5-fluoro-2-methylphenyl)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazol-5-one

4-(5-fluoro-2-methylphenyl)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazol-5-one (PubChem CID 50979013) has the molecular formula C12H10FN5O and a molecular weight of 259.24 g/mol. Its IUPAC name is 4-(5-fluoro-2-methylphenyl)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-(5-fluoro-2-methylphenyl)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazol-5-one
PubChem CID50979013
Molecular FormulaC12H10FN5O
Molecular Weight259.24 g/mol
Exact Mass259.09
IUPAC Name4-(5-fluoro-2-methylphenyl)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazol-5-one
SMILESCc1ccc(F)cc1-n1c(-c2ccn[nH]2)n[nH]c1=O
InChIInChI=1S/C12H10FN5O/c1-7-2-3-8(13)6-10(7)18-11(16-17-12(18)19)9-4-5-14-15-9/h2-6H,1H3,(H,14,15)(H,17,19)
InChIKeyOHDLGWKDLKFVGG-UHFFFAOYSA-N
XLogP1.40
TPSA79.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1H-pyrazol-5-yl)aniline
CID 22493258
5-methyl-8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]quinolin-1(2H)-one
CID 46934730
5-amino-8-(1H-pyrazol-4-yl)-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 69452020
US10562887, Example 79
CID 132168717
1-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-phenylurea
CID 34695105
1-(4-fluorophenyl)-3-[3-(5-methyl-1H-pyrazol-4-yl)propyl]urea
CID 34695112
4-[2-(2-fluorophenyl)ethyl]-5-[1-(1H-pyrazol-1-yl)ethyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 50972066
US20250170136, Example 2
CID 154663995
US10562887, Example 59
CID 132169132
Pyrazolyl-quinazolinone
CID 66987583
1-(2-fluorophenyl)-3-(5-methyl-1H-pyrazol-4-yl)urea
CID 47083640
5-(1,3-dimethyl-1H-pyrazol-5-yl)-4-[2-(4-fluorophenyl)ethyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 50954956

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methylphenyl)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-(5-fluoro-2-methylphenyl)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazol-5-one (CID 50979013) is 4-(5-fluoro-2-methylphenyl)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-(5-fluoro-2-methylphenyl)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-(5-fluoro-2-methylphenyl)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazol-5-one is Cc1ccc(F)cc1-n1c(-c2ccn[nH]2)n[nH]c1=O.
What is the InChIKey of 4-(5-fluoro-2-methylphenyl)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazol-5-one?
The InChIKey is OHDLGWKDLKFVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5O/c1-7-2-3-8(13)6-10(7)18-11(16-17-12(18)19)9-4-5-14-15-9/h2-6H,1H3,(H,14,15)(H,17,19).
What are the key properties of 4-(5-fluoro-2-methylphenyl)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazol-5-one?
4-(5-fluoro-2-methylphenyl)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazol-5-one has a molecular weight of 259.24 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methylphenyl)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 50979013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).