4-[1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclobutyl]pyrazol-4-yl]-2-methyl-1H-pyrimidin-6-one

C19H16F4N4O — CID 137026644

IUPAC4-[1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclobutyl]pyrazol-4-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2cnn(C3(c4ccc(C(F)(F)F)cc4F)CCC3)c2)cc(=O)[nH]1
InChIInChI=1S/C19H16F4N4O/c1-11-25-16(8-17(28)26-11)12-9-24-27(10-12)18(5-2-6-18)14-4-3-13(7-15(14)20)19(21,22)23/h3-4,7-10H,2,5-6H2,1H3,(H,25,26,28)
InChIKeyUTYKMGHQDBKKPS-UHFFFAOYSA-N
MW392.36 g/mol
LogP4.03
Rot. Bonds3

About 4-[1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclobutyl]pyrazol-4-yl]-2-methyl-1H-pyrimidin-6-one

4-[1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclobutyl]pyrazol-4-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 137026644) has the molecular formula C19H16F4N4O and a molecular weight of 392.36 g/mol. Its IUPAC name is 4-[1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclobutyl]pyrazol-4-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclobutyl]pyrazol-4-yl]-2-methyl-1H-pyrimidin-6-one
PubChem CID137026644
Molecular FormulaC19H16F4N4O
Molecular Weight392.36 g/mol
Exact Mass392.13
IUPAC Name4-[1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclobutyl]pyrazol-4-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2cnn(C3(c4ccc(C(F)(F)F)cc4F)CCC3)c2)cc(=O)[nH]1
InChIInChI=1S/C19H16F4N4O/c1-11-25-16(8-17(28)26-11)12-9-24-27(10-12)18(5-2-6-18)14-4-3-13(7-15(14)20)19(21,22)23/h3-4,7-10H,2,5-6H2,1H3,(H,25,26,28)
InChIKeyUTYKMGHQDBKKPS-UHFFFAOYSA-N
XLogP4.03
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.36
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclobutyl]pyrazol-4-yl]-2-methyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

4-[(6R)-6-[2-fluoro-4-(trifluoromethyl)phenyl]-6-methyl-4,5-dihydropyrrolo[1,2-c]triazol-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 137029193
4-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-2-methyl-1H-pyrimidin-6-one
CID 137310087
2-methyl-4-[7-methyl-7-[2-methyl-4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-triazolo[1,5-a]pyridin-3-yl]-1H-pyrimidin-6-one
CID 137029175
4-(4-tert-butylphenyl)-2-methyl-1H-pyrimidin-6-one
CID 135619683
2-methyl-4-[4-[(1R)-1-methyl-5-(trifluoromethyl)-3H-2-benzofuran-1-yl]pyrazol-1-yl]-1H-pyrimidin-6-one
CID 137026692
2-methyl-4-[1-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]pyrazol-4-yl]-1H-pyrimidin-6-one
CID 137310110
4-[1-[1-[2-fluoro-4-(trifluoromethoxy)phenyl]ethyl]pyrazol-4-yl]-2-methyl-1H-pyrimidin-6-one
CID 137026636
2-methyl-4-[5-[1-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137107220
4-[1-[(1S)-1-(4-ethyl-2-fluorophenyl)ethyl]pyrazol-4-yl]-2-methyl-1H-pyrimidin-6-one
CID 137310105
2-methyl-4-[2-[1-[4-(trifluoromethyl)phenyl]ethyl]-4-pyridinyl]-1H-pyrimidin-6-one
CID 137095323
2-(2-aminopropan-2-yl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136771917
1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclobutan-1-amine
CID 117337426

Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclobutyl]pyrazol-4-yl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclobutyl]pyrazol-4-yl]-2-methyl-1H-pyrimidin-6-one (CID 137026644) is 4-[1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclobutyl]pyrazol-4-yl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclobutyl]pyrazol-4-yl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclobutyl]pyrazol-4-yl]-2-methyl-1H-pyrimidin-6-one is Cc1nc(-c2cnn(C3(c4ccc(C(F)(F)F)cc4F)CCC3)c2)cc(=O)[nH]1.
What is the InChIKey of 4-[1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclobutyl]pyrazol-4-yl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is UTYKMGHQDBKKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N4O/c1-11-25-16(8-17(28)26-11)12-9-24-27(10-12)18(5-2-6-18)14-4-3-13(7-15(14)20)19(21,22)23/h3-4,7-10H,2,5-6H2,1H3,(H,25,26,28).
What are the key properties of 4-[1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclobutyl]pyrazol-4-yl]-2-methyl-1H-pyrimidin-6-one?
4-[1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclobutyl]pyrazol-4-yl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 392.36 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclobutyl]pyrazol-4-yl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137026644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).