5-(aminomethyl)-4-ethyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-one

C15H15FN4O — CID 82271225

IUPAC5-(aminomethyl)-4-ethyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCn1c(CN)cc(=O)n2nc(-c3ccc(F)cc3)cc12
InChIInChI=1S/C15H15FN4O/c1-2-19-12(9-17)7-15(21)20-14(19)8-13(18-20)10-3-5-11(16)6-4-10/h3-8H,2,9,17H2,1H3
InChIKeyGKUYDWVEDCQEJE-UHFFFAOYSA-N
MW286.31 g/mol
LogP1.78
Rot. Bonds3

About 5-(aminomethyl)-4-ethyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-one

5-(aminomethyl)-4-ethyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 82271225) has the molecular formula C15H15FN4O and a molecular weight of 286.31 g/mol. Its IUPAC name is 5-(aminomethyl)-4-ethyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(aminomethyl)-4-ethyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID82271225
Molecular FormulaC15H15FN4O
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC Name5-(aminomethyl)-4-ethyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCn1c(CN)cc(=O)n2nc(-c3ccc(F)cc3)cc12
InChIInChI=1S/C15H15FN4O/c1-2-19-12(9-17)7-15(21)20-14(19)8-13(18-20)10-3-5-11(16)6-4-10/h3-8H,2,9,17H2,1H3
InChIKeyGKUYDWVEDCQEJE-UHFFFAOYSA-N
XLogP1.78
TPSA65.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-2-(4-fluorophenyl)-4-methylpyrazolo[1,5-a]pyrimidin-7-one
CID 82271191
5-(aminomethyl)-4-ethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-one
CID 82271228
5-(2-aminoethyl)-4-ethyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one
CID 82271281
5-(2-aminoethyl)-4-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one
CID 82271251
5-(3-aminopropyl)-4-methyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one
CID 82271307
5-(3-aminopropyl)-4-ethyl-2-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-7-one
CID 82271338
benzyl 8-ethyl-11-(4-fluorophenyl)-2-oxo-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-5-carboxylate
CID 146160700
5-(3-aminopropyl)-2-tert-butyl-4-ethylpyrazolo[1,5-a]pyrimidin-7-one
CID 82271318
2-(4-ethyl-7-oxo-2-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetic acid
CID 82271629
3-ethyl-6-(4-fluorophenyl)-1H-pyrimidine-2,4-dione
CID 122239134
8-(6-amino-3-pyridinyl)-2-(4-fluorophenyl)-4-methylpyrazolo[1,5-a]quinazolin-5-one
CID 72545903
2-ethyl-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)pyridazin-3-one
CID 82444919

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-ethyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(aminomethyl)-4-ethyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-one (CID 82271225) is 5-(aminomethyl)-4-ethyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(aminomethyl)-4-ethyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(aminomethyl)-4-ethyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-one is CCn1c(CN)cc(=O)n2nc(-c3ccc(F)cc3)cc12.
What is the InChIKey of 5-(aminomethyl)-4-ethyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is GKUYDWVEDCQEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O/c1-2-19-12(9-17)7-15(21)20-14(19)8-13(18-20)10-3-5-11(16)6-4-10/h3-8H,2,9,17H2,1H3.
What are the key properties of 5-(aminomethyl)-4-ethyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-one?
5-(aminomethyl)-4-ethyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 286.31 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-ethyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 82271225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).