4-(3-fluorophenyl)-1,2-dimethyl-5-quinoxalin-6-ylpyrazol-3-one

C19H15FN4O — CID 16730340

IUPAC4-(3-fluorophenyl)-1,2-dimethyl-5-quinoxalin-6-ylpyrazol-3-one
SMILESCn1c(-c2ccc3nccnc3c2)c(-c2cccc(F)c2)c(=O)n1C
InChIInChI=1S/C19H15FN4O/c1-23-18(13-6-7-15-16(11-13)22-9-8-21-15)17(19(25)24(23)2)12-4-3-5-14(20)10-12/h3-11H,1-2H3
InChIKeyFOPPVQWVXVOECD-UHFFFAOYSA-N
MW334.35 g/mol
LogP3.14
Rot. Bonds2

About 4-(3-fluorophenyl)-1,2-dimethyl-5-quinoxalin-6-ylpyrazol-3-one

4-(3-fluorophenyl)-1,2-dimethyl-5-quinoxalin-6-ylpyrazol-3-one (PubChem CID 16730340) has the molecular formula C19H15FN4O and a molecular weight of 334.35 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-1,2-dimethyl-5-quinoxalin-6-ylpyrazol-3-one.

Molecular Properties

Compound Name4-(3-fluorophenyl)-1,2-dimethyl-5-quinoxalin-6-ylpyrazol-3-one
PubChem CID16730340
Molecular FormulaC19H15FN4O
Molecular Weight334.35 g/mol
Exact Mass334.12
IUPAC Name4-(3-fluorophenyl)-1,2-dimethyl-5-quinoxalin-6-ylpyrazol-3-one
SMILESCn1c(-c2ccc3nccnc3c2)c(-c2cccc(F)c2)c(=O)n1C
InChIInChI=1S/C19H15FN4O/c1-23-18(13-6-7-15-16(11-13)22-9-8-21-15)17(19(25)24(23)2)12-4-3-5-14(20)10-12/h3-11H,1-2H3
InChIKeyFOPPVQWVXVOECD-UHFFFAOYSA-N
XLogP3.14
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-1,2-dimethyl-5-quinoxalin-6-ylpyrazol-3-one?
The IUPAC name of 4-(3-fluorophenyl)-1,2-dimethyl-5-quinoxalin-6-ylpyrazol-3-one (CID 16730340) is 4-(3-fluorophenyl)-1,2-dimethyl-5-quinoxalin-6-ylpyrazol-3-one.
What is the SMILES notation for 4-(3-fluorophenyl)-1,2-dimethyl-5-quinoxalin-6-ylpyrazol-3-one?
The canonical SMILES for 4-(3-fluorophenyl)-1,2-dimethyl-5-quinoxalin-6-ylpyrazol-3-one is Cn1c(-c2ccc3nccnc3c2)c(-c2cccc(F)c2)c(=O)n1C.
What is the InChIKey of 4-(3-fluorophenyl)-1,2-dimethyl-5-quinoxalin-6-ylpyrazol-3-one?
The InChIKey is FOPPVQWVXVOECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O/c1-23-18(13-6-7-15-16(11-13)22-9-8-21-15)17(19(25)24(23)2)12-4-3-5-14(20)10-12/h3-11H,1-2H3.
What are the key properties of 4-(3-fluorophenyl)-1,2-dimethyl-5-quinoxalin-6-ylpyrazol-3-one?
4-(3-fluorophenyl)-1,2-dimethyl-5-quinoxalin-6-ylpyrazol-3-one has a molecular weight of 334.35 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-1,2-dimethyl-5-quinoxalin-6-ylpyrazol-3-one is sourced from PubChem (CID 16730340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).