4-[1-[1-(4-fluorophenyl)ethyl]pyrazol-4-yl]-2-methyl-1H-pyrimidin-6-one

C16H15FN4O — CID 137026535

IUPAC4-[1-[1-(4-fluorophenyl)ethyl]pyrazol-4-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2cnn(C(C)c3ccc(F)cc3)c2)cc(=O)[nH]1
InChIInChI=1S/C16H15FN4O/c1-10(12-3-5-14(17)6-4-12)21-9-13(8-18-21)15-7-16(22)20-11(2)19-15/h3-10H,1-2H3,(H,19,20,22)
InChIKeyJIESAYRMAVLKEH-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.69
Rot. Bonds3

About 4-[1-[1-(4-fluorophenyl)ethyl]pyrazol-4-yl]-2-methyl-1H-pyrimidin-6-one

4-[1-[1-(4-fluorophenyl)ethyl]pyrazol-4-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 137026535) has the molecular formula C16H15FN4O and a molecular weight of 298.32 g/mol. Its IUPAC name is 4-[1-[1-(4-fluorophenyl)ethyl]pyrazol-4-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1-[1-(4-fluorophenyl)ethyl]pyrazol-4-yl]-2-methyl-1H-pyrimidin-6-one
PubChem CID137026535
Molecular FormulaC16H15FN4O
Molecular Weight298.32 g/mol
Exact Mass298.12
IUPAC Name4-[1-[1-(4-fluorophenyl)ethyl]pyrazol-4-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2cnn(C(C)c3ccc(F)cc3)c2)cc(=O)[nH]1
InChIInChI=1S/C16H15FN4O/c1-10(12-3-5-14(17)6-4-12)21-9-13(8-18-21)15-7-16(22)20-11(2)19-15/h3-10H,1-2H3,(H,19,20,22)
InChIKeyJIESAYRMAVLKEH-UHFFFAOYSA-N
XLogP2.69
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-ethyl-1H-pyrazol-4-yl)-N-[1-(2,3,5,6-tetrafluorobenzyl)-1H-pyrazol-3-yl]acrylamide
CID 999008
(E)-3-(2-fluorophenyl)-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]prop-2-enamide
CID 9862544
5-chloro-1-[(2S)-2-methylbutyl]-3-pyrazol-1-yl-6-(2,4,6-trifluorophenyl)pyrazin-2-one
CID 24901079
2-(1-methylpyrazol-3-yl)-6-oxo-N-(2-phenylpropan-2-yl)-1H-pyrimidine-5-carboxamide
CID 44231438
6-oxo-N-[(1S)-1-phenylethyl]-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide
CID 44231560
6-oxo-N-[(1R)-1-phenylethyl]-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide
CID 44231673
N-[(1S)-1-(4-fluorophenyl)ethyl]-6-oxo-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide
CID 44231792
N-[(1R)-1-(4-fluorophenyl)ethyl]-6-oxo-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide
CID 44231793
3-(1-ethyl-1H-pyrazol-4-yl)-N-[1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-3-yl]acrylamide
CID 6208824
3-[4-[(E)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]-3-phenylpyrazol-1-yl]propanenitrile
CID 135520024
1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxo-N-(2-phenyl-2-pyrazol-1-ylethyl)pyridine-3-carboxamide
CID 164618127
4-methyl-1-(1-phenylethyl)-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one
CID 135584535

Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-(4-fluorophenyl)ethyl]pyrazol-4-yl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[1-[1-(4-fluorophenyl)ethyl]pyrazol-4-yl]-2-methyl-1H-pyrimidin-6-one (CID 137026535) is 4-[1-[1-(4-fluorophenyl)ethyl]pyrazol-4-yl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1-[1-(4-fluorophenyl)ethyl]pyrazol-4-yl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1-[1-(4-fluorophenyl)ethyl]pyrazol-4-yl]-2-methyl-1H-pyrimidin-6-one is Cc1nc(-c2cnn(C(C)c3ccc(F)cc3)c2)cc(=O)[nH]1.
What is the InChIKey of 4-[1-[1-(4-fluorophenyl)ethyl]pyrazol-4-yl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is JIESAYRMAVLKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O/c1-10(12-3-5-14(17)6-4-12)21-9-13(8-18-21)15-7-16(22)20-11(2)19-15/h3-10H,1-2H3,(H,19,20,22).
What are the key properties of 4-[1-[1-(4-fluorophenyl)ethyl]pyrazol-4-yl]-2-methyl-1H-pyrimidin-6-one?
4-[1-[1-(4-fluorophenyl)ethyl]pyrazol-4-yl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 298.32 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-(4-fluorophenyl)ethyl]pyrazol-4-yl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137026535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).