5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-(3-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C22H21FN4O — CID 46382046

IUPAC5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-(3-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cccc(-c2cc3nc(CN(C)Cc4ccc(F)cc4)cc(=O)n3[nH]2)c1
InChIInChI=1S/C22H21FN4O/c1-15-4-3-5-17(10-15)20-12-21-24-19(11-22(28)27(21)25-20)14-26(2)13-16-6-8-18(23)9-7-16/h3-12,25H,13-14H2,1-2H3
InChIKeyFDCOTHZDGRMVPZ-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.77
Rot. Bonds5

About 5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-(3-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-(3-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 46382046) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is 5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-(3-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-(3-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID46382046
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC Name5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-(3-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cccc(-c2cc3nc(CN(C)Cc4ccc(F)cc4)cc(=O)n3[nH]2)c1
InChIInChI=1S/C22H21FN4O/c1-15-4-3-5-17(10-15)20-12-21-24-19(11-22(28)27(21)25-20)14-26(2)13-16-6-8-18(23)9-7-16/h3-12,25H,13-14H2,1-2H3
InChIKeyFDCOTHZDGRMVPZ-UHFFFAOYSA-N
XLogP3.77
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-benzyl-2-(tert-butyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrrolo[3,4-d]pyrimidine-5,8-dione
CID 2813282
5-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 5039735
2-(4-Fluoro-phenyl)-5,6-dimethyl-pyrazolo[1,5-a]pyrimidin-7-ol
CID 804445
2-(4-Fluorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-ol
CID 1232838
6-butyl-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrrolo[3,4-d]pyrimidine-5,8-dione
CID 2813279
5-Phenyl-2-m-tolyl-pyrazolo[1,5-a]pyrimidin-7-ol
CID 2857627
5-ethyl-2,3-diphenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 17584764
5-(4-fluorophenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 7339688
3-Phenyl-5-(2,3,4,5-tetrafluorophenyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 51357088
5-methyl-2-phenyl-3-(piperidin-1-yl)-4H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134307466
5-Methyl-2,6-diphenyl-3-(1-piperidinyl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 134315422
2-(4-Fluoro-phenyl)-5-methyl-pyrazolo[1,5-a]pyrimidin-7-ol
CID 647063

Frequently Asked Questions

What is the IUPAC name of 5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-(3-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-(3-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 46382046) is 5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-(3-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-(3-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-(3-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cccc(-c2cc3nc(CN(C)Cc4ccc(F)cc4)cc(=O)n3[nH]2)c1.
What is the InChIKey of 5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-(3-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is FDCOTHZDGRMVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O/c1-15-4-3-5-17(10-15)20-12-21-24-19(11-22(28)27(21)25-20)14-26(2)13-16-6-8-18(23)9-7-16/h3-12,25H,13-14H2,1-2H3.
What are the key properties of 5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-(3-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-(3-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 376.44 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-(3-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 46382046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).