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

C19H18FN5O — CID 46973408

IUPAC5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(4-fluorophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1n[nH]c(C)c1CCc1cc(=O)n2[nH]cc(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C19H18FN5O/c1-11-16(12(2)24-23-11)8-7-15-9-18(26)25-19(22-15)17(10-21-25)13-3-5-14(20)6-4-13/h3-6,9-10,21H,7-8H2,1-2H3,(H,23,24)
InChIKeyJDITYUOQOGQRCJ-UHFFFAOYSA-N
MW351.39 g/mol
LogP2.95
Rot. Bonds4

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

5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(4-fluorophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 46973408) has the molecular formula C19H18FN5O and a molecular weight of 351.39 g/mol. Its IUPAC name is 5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(4-fluorophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(4-fluorophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID46973408
Molecular FormulaC19H18FN5O
Molecular Weight351.39 g/mol
Exact Mass351.15
IUPAC Name5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(4-fluorophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1n[nH]c(C)c1CCc1cc(=O)n2[nH]cc(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C19H18FN5O/c1-11-16(12(2)24-23-11)8-7-15-9-18(26)25-19(22-15)17(10-21-25)13-3-5-14(20)6-4-13/h3-6,9-10,21H,7-8H2,1-2H3,(H,23,24)
InChIKeyJDITYUOQOGQRCJ-UHFFFAOYSA-N
XLogP2.95
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(4-fluorophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(4-fluorophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 46973408) is 5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(4-fluorophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(4-fluorophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(4-fluorophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1n[nH]c(C)c1CCc1cc(=O)n2[nH]cc(-c3ccc(F)cc3)c2n1.
What is the InChIKey of 5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(4-fluorophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is JDITYUOQOGQRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O/c1-11-16(12(2)24-23-11)8-7-15-9-18(26)25-19(22-15)17(10-21-25)13-3-5-14(20)6-4-13/h3-6,9-10,21H,7-8H2,1-2H3,(H,23,24).
What are the key properties of 5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(4-fluorophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(4-fluorophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 351.39 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(4-fluorophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 46973408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).