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

C18H20FN5O — CID 135096321

IUPAC5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(CN3CCN(c4ccccc4F)CC3)cc(=O)n2[nH]1
InChIInChI=1S/C18H20FN5O/c1-13-10-17-20-14(11-18(25)24(17)21-13)12-22-6-8-23(9-7-22)16-5-3-2-4-15(16)19/h2-5,10-11,21H,6-9,12H2,1H3
InChIKeyGUHNFAJLBHSABO-UHFFFAOYSA-N
MW341.39 g/mol
LogP1.79
Rot. Bonds3

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

5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 135096321) has the molecular formula C18H20FN5O and a molecular weight of 341.39 g/mol. Its IUPAC name is 5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID135096321
Molecular FormulaC18H20FN5O
Molecular Weight341.39 g/mol
Exact Mass341.17
IUPAC Name5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(CN3CCN(c4ccccc4F)CC3)cc(=O)n2[nH]1
InChIInChI=1S/C18H20FN5O/c1-13-10-17-20-14(11-18(25)24(17)21-13)12-22-6-8-23(9-7-22)16-5-3-2-4-15(16)19/h2-5,10-11,21H,6-9,12H2,1H3
InChIKeyGUHNFAJLBHSABO-UHFFFAOYSA-N
XLogP1.79
TPSA56.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 135096321) is 5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc2nc(CN3CCN(c4ccccc4F)CC3)cc(=O)n2[nH]1.
What is the InChIKey of 5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is GUHNFAJLBHSABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O/c1-13-10-17-20-14(11-18(25)24(17)21-13)12-22-6-8-23(9-7-22)16-5-3-2-4-15(16)19/h2-5,10-11,21H,6-9,12H2,1H3.
What are the key properties of 5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 341.39 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 135096321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).