2-ethyl-3-(4-fluorophenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C16H16FN3O — CID 16674330

IUPAC2-ethyl-3-(4-fluorophenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1[nH]n2c(=O)c(C)c(C)nc2c1-c1ccc(F)cc1
InChIInChI=1S/C16H16FN3O/c1-4-13-14(11-5-7-12(17)8-6-11)15-18-10(3)9(2)16(21)20(15)19-13/h5-8,19H,4H2,1-3H3
InChIKeyRPXOJQPAYAQLAY-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.01
Rot. Bonds2

About 2-ethyl-3-(4-fluorophenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-ethyl-3-(4-fluorophenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 16674330) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 2-ethyl-3-(4-fluorophenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-ethyl-3-(4-fluorophenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID16674330
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name2-ethyl-3-(4-fluorophenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1[nH]n2c(=O)c(C)c(C)nc2c1-c1ccc(F)cc1
InChIInChI=1S/C16H16FN3O/c1-4-13-14(11-5-7-12(17)8-6-11)15-18-10(3)9(2)16(21)20(15)19-13/h5-8,19H,4H2,1-3H3
InChIKeyRPXOJQPAYAQLAY-UHFFFAOYSA-N
XLogP3.01
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(4-fluorophenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-ethyl-3-(4-fluorophenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 16674330) is 2-ethyl-3-(4-fluorophenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-ethyl-3-(4-fluorophenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-ethyl-3-(4-fluorophenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCc1[nH]n2c(=O)c(C)c(C)nc2c1-c1ccc(F)cc1.
What is the InChIKey of 2-ethyl-3-(4-fluorophenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is RPXOJQPAYAQLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-4-13-14(11-5-7-12(17)8-6-11)15-18-10(3)9(2)16(21)20(15)19-13/h5-8,19H,4H2,1-3H3.
What are the key properties of 2-ethyl-3-(4-fluorophenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-ethyl-3-(4-fluorophenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 285.32 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(4-fluorophenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 16674330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).