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

C19H19FN6O — CID 91842838

IUPAC5-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(CN(C)Cc3cn[nH]c3-c3ccc(F)cc3)cc(=O)n2[nH]1
InChIInChI=1S/C19H19FN6O/c1-12-7-17-22-16(8-18(27)26(17)24-12)11-25(2)10-14-9-21-23-19(14)13-3-5-15(20)6-4-13/h3-9,24H,10-11H2,1-2H3,(H,21,23)
InChIKeyRSDRSCJFUSITDR-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.49
Rot. Bonds5

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

5-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 91842838) has the molecular formula C19H19FN6O and a molecular weight of 366.40 g/mol. Its IUPAC name is 5-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID91842838
Molecular FormulaC19H19FN6O
Molecular Weight366.40 g/mol
Exact Mass366.16
IUPAC Name5-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(CN(C)Cc3cn[nH]c3-c3ccc(F)cc3)cc(=O)n2[nH]1
InChIInChI=1S/C19H19FN6O/c1-12-7-17-22-16(8-18(27)26(17)24-12)11-25(2)10-14-9-21-23-19(14)13-3-5-15(20)6-4-13/h3-9,24H,10-11H2,1-2H3,(H,21,23)
InChIKeyRSDRSCJFUSITDR-UHFFFAOYSA-N
XLogP2.49
TPSA82.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 91842838) is 5-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc2nc(CN(C)Cc3cn[nH]c3-c3ccc(F)cc3)cc(=O)n2[nH]1.
What is the InChIKey of 5-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is RSDRSCJFUSITDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O/c1-12-7-17-22-16(8-18(27)26(17)24-12)11-25(2)10-14-9-21-23-19(14)13-3-5-15(20)6-4-13/h3-9,24H,10-11H2,1-2H3,(H,21,23).
What are the key properties of 5-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 366.40 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 91842838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).