5-(3-fluorophenyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C19H14FN3O — CID 166606555

IUPAC5-(3-fluorophenyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1[nH]n2c(=O)cc(-c3cccc(F)c3)nc2c1-c1ccccc1
InChIInChI=1S/C19H14FN3O/c1-12-18(13-6-3-2-4-7-13)19-21-16(11-17(24)23(19)22-12)14-8-5-9-15(20)10-14/h2-11,22H,1H3
InChIKeySGTZTFAEPOKPTD-UHFFFAOYSA-N
MW319.34 g/mol
LogP3.80
Rot. Bonds2

About 5-(3-fluorophenyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-(3-fluorophenyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 166606555) has the molecular formula C19H14FN3O and a molecular weight of 319.34 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(3-fluorophenyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID166606555
Molecular FormulaC19H14FN3O
Molecular Weight319.34 g/mol
Exact Mass319.11
IUPAC Name5-(3-fluorophenyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1[nH]n2c(=O)cc(-c3cccc(F)c3)nc2c1-c1ccccc1
InChIInChI=1S/C19H14FN3O/c1-12-18(13-6-3-2-4-7-13)19-21-16(11-17(24)23(19)22-12)14-8-5-9-15(20)10-14/h2-11,22H,1H3
InChIKeySGTZTFAEPOKPTD-UHFFFAOYSA-N
XLogP3.80
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-methoxyphenyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 17079174
2-methyl-5-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 123610819
2-methyl-3-phenyl-5-pyrazin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46973660
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-5-(4-phenylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 171133939
3-[4-(dimethylamino)phenyl]-2-methyl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 177228663
2-methyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 58662275
3-(4-methoxyphenyl)-2-methyl-5-(2-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 17168369
5-(2H-benzotriazol-5-yl)-3-(4-methoxyphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 56854687
5-(cyclohexylmethyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 166606577
5-(3-ethoxyphenyl)-3-(4-methoxy-3-methylphenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 171140472
5-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 171140481
2-methyl-5-(morpholin-4-ylmethyl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 166606545

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(3-fluorophenyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 166606555) is 5-(3-fluorophenyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(3-fluorophenyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(3-fluorophenyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1[nH]n2c(=O)cc(-c3cccc(F)c3)nc2c1-c1ccccc1.
What is the InChIKey of 5-(3-fluorophenyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is SGTZTFAEPOKPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O/c1-12-18(13-6-3-2-4-7-13)19-21-16(11-17(24)23(19)22-12)14-8-5-9-15(20)10-14/h2-11,22H,1H3.
What are the key properties of 5-(3-fluorophenyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(3-fluorophenyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 319.34 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 166606555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).