[4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-7-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)methanone

C24H24FN5O — CID 135449971

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-7-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)methanone
SMILESCC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)C(c2ccccc2)n2nccc2N1
InChIInChI=1S/C24H24FN5O/c1-17-22(23(18-5-3-2-4-6-18)30-21(27-17)11-12-26-30)24(31)29-15-13-28(14-16-29)20-9-7-19(25)8-10-20/h2-12,23,27H,13-16H2,1H3
InChIKeyPLLXTGQGCTVIOJ-UHFFFAOYSA-N
MW417.49 g/mol
LogP3.66
Rot. Bonds3

About [4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-7-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)methanone

[4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-7-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)methanone (PubChem CID 135449971) has the molecular formula C24H24FN5O and a molecular weight of 417.49 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-7-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-7-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)methanone
PubChem CID135449971
Molecular FormulaC24H24FN5O
Molecular Weight417.49 g/mol
Exact Mass417.20
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-7-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)methanone
SMILESCC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)C(c2ccccc2)n2nccc2N1
InChIInChI=1S/C24H24FN5O/c1-17-22(23(18-5-3-2-4-6-18)30-21(27-17)11-12-26-30)24(31)29-15-13-28(14-16-29)20-9-7-19(25)8-10-20/h2-12,23,27H,13-16H2,1H3
InChIKeyPLLXTGQGCTVIOJ-UHFFFAOYSA-N
XLogP3.66
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-7-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-7-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)methanone (CID 135449971) is [4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-7-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-7-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-7-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)methanone is CC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)C(c2ccccc2)n2nccc2N1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-7-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)methanone?
The InChIKey is PLLXTGQGCTVIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O/c1-17-22(23(18-5-3-2-4-6-18)30-21(27-17)11-12-26-30)24(31)29-15-13-28(14-16-29)20-9-7-19(25)8-10-20/h2-12,23,27H,13-16H2,1H3.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-7-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-7-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)methanone has a molecular weight of 417.49 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-7-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)methanone is sourced from PubChem (CID 135449971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).