3-(4-fluorophenyl)-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C19H15F4N5O — CID 98132981

IUPAC3-(4-fluorophenyl)-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(C(F)(F)F)nn1CCc1cc(=O)n2[nH]cc(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C19H15F4N5O/c1-11-8-16(19(21,22)23)26-27(11)7-6-14-9-17(29)28-18(25-14)15(10-24-28)12-2-4-13(20)5-3-12/h2-5,8-10,24H,6-7H2,1H3
InChIKeyDZKCIFXEOZFGON-UHFFFAOYSA-N
MW405.36 g/mol
LogP3.60
Rot. Bonds4

About 3-(4-fluorophenyl)-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-(4-fluorophenyl)-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 98132981) has the molecular formula C19H15F4N5O and a molecular weight of 405.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID98132981
Molecular FormulaC19H15F4N5O
Molecular Weight405.36 g/mol
Exact Mass405.12
IUPAC Name3-(4-fluorophenyl)-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(C(F)(F)F)nn1CCc1cc(=O)n2[nH]cc(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C19H15F4N5O/c1-11-8-16(19(21,22)23)26-27(11)7-6-14-9-17(29)28-18(25-14)15(10-24-28)12-2-4-13(20)5-3-12/h2-5,8-10,24H,6-7H2,1H3
InChIKeyDZKCIFXEOZFGON-UHFFFAOYSA-N
XLogP3.60
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-fluoro-6-oxo-1,6-dihydropyrimidin-2-yl)-1-(2-fluorobenzyl)-1H-pyrazole-5-carbonitrile
CID 71620791
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CID 71621109
5-(4-chlorophenyl)-3-(1-ethyl-1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 136509837
6-[3-Phenyl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3(2H)-one
CID 139068959
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-4-(4-(4-fluorophenyl)-6-oxopyrimidin-1(6H)-yl)butanamide
CID 49729266
2-(3-(3,5-dimethyl-1H-pyrazol-1-yl)-6-oxopyridazin-1(6H)-yl)-N-(4-fluoro-3-(trifluoromethyl)phenyl)acetamide
CID 56724618
2-Tert-butyl-5-{[3-(4-fluorophenyl)-1-methylpyrazol-4-YL]methyl}pyrazolo[1,5-A]pyrimidin-7-OL
CID 98139290
2-(3-{[[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl](methyl)amino]methyl}phenyl)-5-fluoro-6-methylpyrimidin-4(3H)-one
CID 136046714
N-[2-(2-fluorophenyl)ethyl]-1-(6-oxo-1H-pyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 37628453
5-[2-(3,5-Dimethyl-1H-pyrazol-4-YL)ethyl]-3-(4-fluorophenyl)pyrazolo[1,5-A]pyrimidin-7-OL
CID 46973408
5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(4-fluorophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46973526
3-(2-fluoro-4-pyrazol-1-ylphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 59028644

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-(4-fluorophenyl)-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 98132981) is 3-(4-fluorophenyl)-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-(4-fluorophenyl)-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-(4-fluorophenyl)-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc(C(F)(F)F)nn1CCc1cc(=O)n2[nH]cc(-c3ccc(F)cc3)c2n1.
What is the InChIKey of 3-(4-fluorophenyl)-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is DZKCIFXEOZFGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F4N5O/c1-11-8-16(19(21,22)23)26-27(11)7-6-14-9-17(29)28-18(25-14)15(10-24-28)12-2-4-13(20)5-3-12/h2-5,8-10,24H,6-7H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-(4-fluorophenyl)-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 405.36 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 98132981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).