2-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]pyrido[1,2-a]pyrimidin-4-one

C20H15F3N4O — CID 134282728

IUPAC2-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC(c1ccc(C(F)(F)F)cc1)n1cc(-c2cc(=O)n3ccccc3n2)cn1
InChIInChI=1S/C20H15F3N4O/c1-13(14-5-7-16(8-6-14)20(21,22)23)27-12-15(11-24-27)17-10-19(28)26-9-3-2-4-18(26)25-17/h2-13H,1H3
InChIKeyVOEXHJLAXVNVRM-UHFFFAOYSA-N
MW384.36 g/mol
LogP4.19
Rot. Bonds3

About 2-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]pyrido[1,2-a]pyrimidin-4-one

2-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 134282728) has the molecular formula C20H15F3N4O and a molecular weight of 384.36 g/mol. Its IUPAC name is 2-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID134282728
Molecular FormulaC20H15F3N4O
Molecular Weight384.36 g/mol
Exact Mass384.12
IUPAC Name2-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC(c1ccc(C(F)(F)F)cc1)n1cc(-c2cc(=O)n3ccccc3n2)cn1
InChIInChI=1S/C20H15F3N4O/c1-13(14-5-7-16(8-6-14)20(21,22)23)27-12-15(11-24-27)17-10-19(28)26-9-3-2-4-18(26)25-17/h2-13H,1H3
InChIKeyVOEXHJLAXVNVRM-UHFFFAOYSA-N
XLogP4.19
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-1-[(2S)-2-methylbutyl]-3-pyrazol-1-yl-6-(2,4,6-trifluorophenyl)pyrazin-2-one
CID 24901079
5-Chloro-6-(2,6-difluorophenyl)-1-(2-methylpropyl)-3-(1H-pyrazol-1-yl)-2(1H)-pyrazinone
CID 11660585
5-Chloro-1-(2-methylpropyl)-3-pyrazol-1-yl-6-(2,4,6-trifluorophenyl)pyrazin-2-one
CID 69171750
US10829487, Example I-172
CID 138751149
6-(2,6-Difluorophenyl)-1-(2-methylpropyl)-3-(1H-pyrazol-1-yl)-2(1H)-pyrazinone
CID 57432940
5-Bromo-6-(2,6-difluorophenyl)-1-(2-methylpropyl)-3-(1H-pyrazol-1-yl)-2(1H)-pyrazinone
CID 68866883
5-Methyl-6-(2,6-difluorophenyl)-1-(2-methylpropyl)-3-(1H-pyrazol-1-yl)-2(1H)-pyrazinone
CID 69069202
5-Chloro-1-(2,2,3,3,3-pentafluoropropyl)-3-(1H-pyrazol-1-yl)-6-(2,4,6-trifluorophenyl)-2(1H)-pyrazinone
CID 86632814
US10617680, Example 35
CID 135355182
US10617680, Example 21
CID 135355395
US10617680, Example 26
CID 135355442
2-[1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]pyrazol-4-yl]-4-methyl-1H-pyrimidin-6-one
CID 137129920

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]pyrido[1,2-a]pyrimidin-4-one (CID 134282728) is 2-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]pyrido[1,2-a]pyrimidin-4-one is CC(c1ccc(C(F)(F)F)cc1)n1cc(-c2cc(=O)n3ccccc3n2)cn1.
What is the InChIKey of 2-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is VOEXHJLAXVNVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O/c1-13(14-5-7-16(8-6-14)20(21,22)23)27-12-15(11-24-27)17-10-19(28)26-9-3-2-4-18(26)25-17/h2-13H,1H3.
What are the key properties of 2-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]pyrido[1,2-a]pyrimidin-4-one?
2-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 384.36 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 134282728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).