1-(1H-pyrazol-5-yl)-6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one

C12H7F3N4O — CID 175923508

IUPAC1-(1H-pyrazol-5-yl)-6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one
SMILESO=c1cc2cc(C(F)(F)F)ccn2c(-c2ccn[nH]2)n1
InChIInChI=1S/C12H7F3N4O/c13-12(14,15)7-2-4-19-8(5-7)6-10(20)17-11(19)9-1-3-16-18-9/h1-6H,(H,16,18)
InChIKeyPBQVVQFIOCLIID-UHFFFAOYSA-N
MW280.21 g/mol
LogP2.10
Rot. Bonds1

About 1-(1H-pyrazol-5-yl)-6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one

1-(1H-pyrazol-5-yl)-6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one (PubChem CID 175923508) has the molecular formula C12H7F3N4O and a molecular weight of 280.21 g/mol. Its IUPAC name is 1-(1H-pyrazol-5-yl)-6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one.

Molecular Properties

Compound Name1-(1H-pyrazol-5-yl)-6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one
PubChem CID175923508
Molecular FormulaC12H7F3N4O
Molecular Weight280.21 g/mol
Exact Mass280.06
IUPAC Name1-(1H-pyrazol-5-yl)-6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one
SMILESO=c1cc2cc(C(F)(F)F)ccn2c(-c2ccn[nH]2)n1
InChIInChI=1S/C12H7F3N4O/c13-12(14,15)7-2-4-19-8(5-7)6-10(20)17-11(19)9-1-3-16-18-9/h1-6H,(H,16,18)
InChIKeyPBQVVQFIOCLIID-UHFFFAOYSA-N
XLogP2.10
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-5-yl)-6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one?
The IUPAC name of 1-(1H-pyrazol-5-yl)-6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one (CID 175923508) is 1-(1H-pyrazol-5-yl)-6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one.
What is the SMILES notation for 1-(1H-pyrazol-5-yl)-6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one?
The canonical SMILES for 1-(1H-pyrazol-5-yl)-6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one is O=c1cc2cc(C(F)(F)F)ccn2c(-c2ccn[nH]2)n1.
What is the InChIKey of 1-(1H-pyrazol-5-yl)-6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one?
The InChIKey is PBQVVQFIOCLIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N4O/c13-12(14,15)7-2-4-19-8(5-7)6-10(20)17-11(19)9-1-3-16-18-9/h1-6H,(H,16,18).
What are the key properties of 1-(1H-pyrazol-5-yl)-6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one?
1-(1H-pyrazol-5-yl)-6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one has a molecular weight of 280.21 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-5-yl)-6-(trifluoromethyl)pyrido[1,2-c]pyrimidin-3-one is sourced from PubChem (CID 175923508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).