5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one

C18H14F2N6O — CID 71621262

IUPAC5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one
SMILESCn1ccc(-c2cc(-c3ncc(F)c(=O)[nH]3)nn2Cc2ccccc2F)n1
InChIInChI=1S/C18H14F2N6O/c1-25-7-6-14(23-25)16-8-15(17-21-9-13(20)18(27)22-17)24-26(16)10-11-4-2-3-5-12(11)19/h2-9H,10H2,1H3,(H,21,22,27)
InChIKeyAJPPEVKDKKBZBQ-UHFFFAOYSA-N
MW368.35 g/mol
LogP2.36
Rot. Bonds4

About 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one

5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one (PubChem CID 71621262) has the molecular formula C18H14F2N6O and a molecular weight of 368.35 g/mol. Its IUPAC name is 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one
PubChem CID71621262
Molecular FormulaC18H14F2N6O
Molecular Weight368.35 g/mol
Exact Mass368.12
IUPAC Name5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one
SMILESCn1ccc(-c2cc(-c3ncc(F)c(=O)[nH]3)nn2Cc2ccccc2F)n1
InChIInChI=1S/C18H14F2N6O/c1-25-7-6-14(23-25)16-8-15(17-21-9-13(20)18(27)22-17)24-26(16)10-11-4-2-3-5-12(11)19/h2-9H,10H2,1H3,(H,21,22,27)
InChIKeyAJPPEVKDKKBZBQ-UHFFFAOYSA-N
XLogP2.36
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Rgfp966
CID 56650312
3-(2,6-Diethylphenyl)-5-[3-(2,6-difluorophenyl)pyrrolidine-1-carbonyl]-6-hydroxy-2-(1-methylpyrazol-3-yl)pyrimidin-4-one
CID 137198123
N-[3,5-dimethyl-1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-4-yl]-1-methyl-1H-pyrazole-5-carboxamide
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CID 844520
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CID 999008
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CID 1001179
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CID 4577554
2-(1-methylpyrazol-3-yl)-6-oxo-N-(2-phenylpropan-2-yl)-1H-pyrimidine-5-carboxamide
CID 44231438
N-(2-amino-4-fluorophenyl)-3-[1-(3-phenylprop-2-enyl)-4-pyrazolyl]-2-propenamide
CID 68294530
5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-thiazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one
CID 118971275
3-(1-ethyl-1H-pyrazol-4-yl)-N-[1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-3-yl]acrylamide
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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one (CID 71621262) is 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one is Cn1ccc(-c2cc(-c3ncc(F)c(=O)[nH]3)nn2Cc2ccccc2F)n1.
What is the InChIKey of 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one?
The InChIKey is AJPPEVKDKKBZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N6O/c1-25-7-6-14(23-25)16-8-15(17-21-9-13(20)18(27)22-17)24-26(16)10-11-4-2-3-5-12(11)19/h2-9H,10H2,1H3,(H,21,22,27).
What are the key properties of 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one?
5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one has a molecular weight of 368.35 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)pyrazol-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 71621262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).