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

C14H13FN4O — CID 82271191

IUPAC5-(aminomethyl)-2-(4-fluorophenyl)-4-methylpyrazolo[1,5-a]pyrimidin-7-one
SMILESCn1c(CN)cc(=O)n2nc(-c3ccc(F)cc3)cc12
InChIInChI=1S/C14H13FN4O/c1-18-11(8-16)6-14(20)19-13(18)7-12(17-19)9-2-4-10(15)5-3-9/h2-7H,8,16H2,1H3
InChIKeyDKJSGENHMWJVMX-UHFFFAOYSA-N
MW272.28 g/mol
LogP1.30
Rot. Bonds2

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

5-(aminomethyl)-2-(4-fluorophenyl)-4-methylpyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 82271191) has the molecular formula C14H13FN4O and a molecular weight of 272.28 g/mol. Its IUPAC name is 5-(aminomethyl)-2-(4-fluorophenyl)-4-methylpyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(aminomethyl)-2-(4-fluorophenyl)-4-methylpyrazolo[1,5-a]pyrimidin-7-one
PubChem CID82271191
Molecular FormulaC14H13FN4O
Molecular Weight272.28 g/mol
Exact Mass272.11
IUPAC Name5-(aminomethyl)-2-(4-fluorophenyl)-4-methylpyrazolo[1,5-a]pyrimidin-7-one
SMILESCn1c(CN)cc(=O)n2nc(-c3ccc(F)cc3)cc12
InChIInChI=1S/C14H13FN4O/c1-18-11(8-16)6-14(20)19-13(18)7-12(17-19)9-2-4-10(15)5-3-9/h2-7H,8,16H2,1H3
InChIKeyDKJSGENHMWJVMX-UHFFFAOYSA-N
XLogP1.30
TPSA65.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-4-ethyl-2-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-one
CID 82271225
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-(aminomethyl)-2-tert-butyl-4-methylpyrazolo[1,5-a]pyrimidin-7-one
CID 82271172
5-(aminomethyl)-4-ethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-one
CID 82271228
5-(2-aminoethyl)-4-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-one
CID 82271260
8-(6-amino-3-pyridinyl)-2-(4-fluorophenyl)-4-methylpyrazolo[1,5-a]quinazolin-5-one
CID 72545903
4-methyl-2-(4-methylphenyl)-5-pyrrolidin-2-ylpyrazolo[1,5-a]pyrimidin-7-one
CID 82271379
5-(2-aminoethyl)-4-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-one
CID 82271236
5-(2-aminoethyl)-4-ethyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-one
CID 82271281
6-(4-fluorophenyl)-2-propyl-4-(sulfanylmethyl)pyridazin-3-one
CID 82446742
4-(1-aminoethyl)-6-(4-fluorophenyl)-2-methylpyridazin-3-one
CID 82444034

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-(4-fluorophenyl)-4-methylpyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(aminomethyl)-2-(4-fluorophenyl)-4-methylpyrazolo[1,5-a]pyrimidin-7-one (CID 82271191) is 5-(aminomethyl)-2-(4-fluorophenyl)-4-methylpyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(aminomethyl)-2-(4-fluorophenyl)-4-methylpyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(aminomethyl)-2-(4-fluorophenyl)-4-methylpyrazolo[1,5-a]pyrimidin-7-one is Cn1c(CN)cc(=O)n2nc(-c3ccc(F)cc3)cc12.
What is the InChIKey of 5-(aminomethyl)-2-(4-fluorophenyl)-4-methylpyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is DKJSGENHMWJVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O/c1-18-11(8-16)6-14(20)19-13(18)7-12(17-19)9-2-4-10(15)5-3-9/h2-7H,8,16H2,1H3.
What are the key properties of 5-(aminomethyl)-2-(4-fluorophenyl)-4-methylpyrazolo[1,5-a]pyrimidin-7-one?
5-(aminomethyl)-2-(4-fluorophenyl)-4-methylpyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 272.28 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-(4-fluorophenyl)-4-methylpyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 82271191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).