1-(1H-pyrazol-4-ylmethyl)-4-[4-(trifluoromethyl)phenyl]-3H-quinoxalin-2-one

C19H15F3N4O — CID 172543219

IUPAC1-(1H-pyrazol-4-ylmethyl)-4-[4-(trifluoromethyl)phenyl]-3H-quinoxalin-2-one
SMILESO=C1CN(c2ccc(C(F)(F)F)cc2)c2ccccc2N1Cc1cn[nH]c1
InChIInChI=1S/C19H15F3N4O/c20-19(21,22)14-5-7-15(8-6-14)25-12-18(27)26(11-13-9-23-24-10-13)17-4-2-1-3-16(17)25/h1-10H,11-12H2,(H,23,24)
InChIKeyNTAFRQSEENEMAX-UHFFFAOYSA-N
MW372.35 g/mol
LogP4.11
Rot. Bonds3

About 1-(1H-pyrazol-4-ylmethyl)-4-[4-(trifluoromethyl)phenyl]-3H-quinoxalin-2-one

1-(1H-pyrazol-4-ylmethyl)-4-[4-(trifluoromethyl)phenyl]-3H-quinoxalin-2-one (PubChem CID 172543219) has the molecular formula C19H15F3N4O and a molecular weight of 372.35 g/mol. Its IUPAC name is 1-(1H-pyrazol-4-ylmethyl)-4-[4-(trifluoromethyl)phenyl]-3H-quinoxalin-2-one.

Molecular Properties

Compound Name1-(1H-pyrazol-4-ylmethyl)-4-[4-(trifluoromethyl)phenyl]-3H-quinoxalin-2-one
PubChem CID172543219
Molecular FormulaC19H15F3N4O
Molecular Weight372.35 g/mol
Exact Mass372.12
IUPAC Name1-(1H-pyrazol-4-ylmethyl)-4-[4-(trifluoromethyl)phenyl]-3H-quinoxalin-2-one
SMILESO=C1CN(c2ccc(C(F)(F)F)cc2)c2ccccc2N1Cc1cn[nH]c1
InChIInChI=1S/C19H15F3N4O/c20-19(21,22)14-5-7-15(8-6-14)25-12-18(27)26(11-13-9-23-24-10-13)17-4-2-1-3-16(17)25/h1-10H,11-12H2,(H,23,24)
InChIKeyNTAFRQSEENEMAX-UHFFFAOYSA-N
XLogP4.11
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-1-(1H-pyrazol-4-ylmethyl)pyrrolidine-2,5-dione
CID 60976711
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CID 90485798
5-benzyl-1,1-dioxo-2-[[3-(trifluoromethyl)phenyl]methyl]-3H-1λ6,2,5-benzothiadiazepin-4-one
CID 46375403
3-[[3,5-dimethyl-4-(2-methyl-3-oxobutan-2-yl)oxyphenyl]methyl]-1-[4-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 174303131
1-[[3-(trifluoromethyl)phenyl]methyl]-3H-indol-2-one
CID 141283536
1-methyl-2-sulfanylidene-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidin-4-one
CID 169159941
1-[4-(trifluoromethyl)phenyl]azepan-2-one
CID 154102957
2-[5-[[2,5-dioxo-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]cyclohepta-1,4,6-trien-1-yl]oxy-2-methylpropanoic acid
CID 170067357
4-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 141195152
4-[4-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CID 139668299
2-[(4-methylphenyl)methyl]-1,1-dioxo-5-[[3-(trifluoromethyl)phenyl]methyl]-3H-1λ6,2,5-benzothiadiazepin-4-one
CID 20970960
3-methylidene-1-[4-(trifluoromethyl)phenyl]azetidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-4-ylmethyl)-4-[4-(trifluoromethyl)phenyl]-3H-quinoxalin-2-one?
The IUPAC name of 1-(1H-pyrazol-4-ylmethyl)-4-[4-(trifluoromethyl)phenyl]-3H-quinoxalin-2-one (CID 172543219) is 1-(1H-pyrazol-4-ylmethyl)-4-[4-(trifluoromethyl)phenyl]-3H-quinoxalin-2-one.
What is the SMILES notation for 1-(1H-pyrazol-4-ylmethyl)-4-[4-(trifluoromethyl)phenyl]-3H-quinoxalin-2-one?
The canonical SMILES for 1-(1H-pyrazol-4-ylmethyl)-4-[4-(trifluoromethyl)phenyl]-3H-quinoxalin-2-one is O=C1CN(c2ccc(C(F)(F)F)cc2)c2ccccc2N1Cc1cn[nH]c1.
What is the InChIKey of 1-(1H-pyrazol-4-ylmethyl)-4-[4-(trifluoromethyl)phenyl]-3H-quinoxalin-2-one?
The InChIKey is NTAFRQSEENEMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O/c20-19(21,22)14-5-7-15(8-6-14)25-12-18(27)26(11-13-9-23-24-10-13)17-4-2-1-3-16(17)25/h1-10H,11-12H2,(H,23,24).
What are the key properties of 1-(1H-pyrazol-4-ylmethyl)-4-[4-(trifluoromethyl)phenyl]-3H-quinoxalin-2-one?
1-(1H-pyrazol-4-ylmethyl)-4-[4-(trifluoromethyl)phenyl]-3H-quinoxalin-2-one has a molecular weight of 372.35 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-4-ylmethyl)-4-[4-(trifluoromethyl)phenyl]-3H-quinoxalin-2-one is sourced from PubChem (CID 172543219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).