2-(2-fluorophenyl)-5-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrazol-3-one

C18H18FN5O2 — CID 66504653

IUPAC2-(2-fluorophenyl)-5-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrazol-3-one
SMILESCc1nc(N2CCOCC2)ncc1-c1cc(=O)n(-c2ccccc2F)[nH]1
InChIInChI=1S/C18H18FN5O2/c1-12-13(11-20-18(21-12)23-6-8-26-9-7-23)15-10-17(25)24(22-15)16-5-3-2-4-14(16)19/h2-5,10-11,22H,6-9H2,1H3
InChIKeyWSFXIGLVCMSUHN-UHFFFAOYSA-N
MW355.37 g/mol
LogP1.91
Rot. Bonds3

About 2-(2-fluorophenyl)-5-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrazol-3-one

2-(2-fluorophenyl)-5-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrazol-3-one (PubChem CID 66504653) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrazol-3-one
PubChem CID66504653
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC Name2-(2-fluorophenyl)-5-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrazol-3-one
SMILESCc1nc(N2CCOCC2)ncc1-c1cc(=O)n(-c2ccccc2F)[nH]1
InChIInChI=1S/C18H18FN5O2/c1-12-13(11-20-18(21-12)23-6-8-26-9-7-23)15-10-17(25)24(22-15)16-5-3-2-4-14(16)19/h2-5,10-11,22H,6-9H2,1H3
InChIKeyWSFXIGLVCMSUHN-UHFFFAOYSA-N
XLogP1.91
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chloro-2-fluorophenyl)-5-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrazol-3-one
CID 66504416
2-(2-methoxyphenyl)-5-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrazol-3-one
CID 66504423
5-[4-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]-2-phenyl-1H-pyrazol-3-one
CID 66504379
5-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-pyridin-2-yl-1H-pyrazol-3-one
CID 66504220
5-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,2-dihydropyrazol-3-one
CID 66490356
2-(4,6-dimethylpyrimidin-2-yl)-5-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrazol-3-one
CID 66504353
2-(4-chlorophenyl)-5-[2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]-1H-pyrazol-3-one
CID 66504213
2-benzyl-5-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1H-pyrazol-3-one
CID 66504378
2-(1H-benzimidazol-2-yl)-5-[2-(4-ethylpiperazin-1-yl)-4-methylpyrimidin-5-yl]-1H-pyrazol-3-one
CID 66504229
5-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-2-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-3-one
CID 66504431
4-chloro-2-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)phenol
CID 174507871
2-(1,3-benzoxazol-2-yl)-5-[2-(3,5-dimethylpiperidin-1-yl)-4-methylpyrimidin-5-yl]-1H-pyrazol-3-one
CID 66504226

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrazol-3-one?
The IUPAC name of 2-(2-fluorophenyl)-5-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrazol-3-one (CID 66504653) is 2-(2-fluorophenyl)-5-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrazol-3-one.
What is the SMILES notation for 2-(2-fluorophenyl)-5-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrazol-3-one?
The canonical SMILES for 2-(2-fluorophenyl)-5-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrazol-3-one is Cc1nc(N2CCOCC2)ncc1-c1cc(=O)n(-c2ccccc2F)[nH]1.
What is the InChIKey of 2-(2-fluorophenyl)-5-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrazol-3-one?
The InChIKey is WSFXIGLVCMSUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2/c1-12-13(11-20-18(21-12)23-6-8-26-9-7-23)15-10-17(25)24(22-15)16-5-3-2-4-14(16)19/h2-5,10-11,22H,6-9H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-5-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrazol-3-one?
2-(2-fluorophenyl)-5-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrazol-3-one has a molecular weight of 355.37 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1H-pyrazol-3-one is sourced from PubChem (CID 66504653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).