3-(2-fluoro-4-pyrazol-1-ylphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C17H14FN5O — CID 59028644

IUPAC3-(2-fluoro-4-pyrazol-1-ylphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(C)c(-c3ccc(-n4cccn4)cc3F)c2n1
InChIInChI=1S/C17H14FN5O/c1-10-8-15(24)23-17(20-10)16(11(2)21-23)13-5-4-12(9-14(13)18)22-7-3-6-19-22/h3-9,21H,1-2H3
InChIKeyYFUCNTIYERJEDK-UHFFFAOYSA-N
MW323.33 g/mol
LogP2.63
Rot. Bonds2

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

3-(2-fluoro-4-pyrazol-1-ylphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 59028644) has the molecular formula C17H14FN5O and a molecular weight of 323.33 g/mol. Its IUPAC name is 3-(2-fluoro-4-pyrazol-1-ylphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-(2-fluoro-4-pyrazol-1-ylphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID59028644
Molecular FormulaC17H14FN5O
Molecular Weight323.33 g/mol
Exact Mass323.12
IUPAC Name3-(2-fluoro-4-pyrazol-1-ylphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(C)c(-c3ccc(-n4cccn4)cc3F)c2n1
InChIInChI=1S/C17H14FN5O/c1-10-8-15(24)23-17(20-10)16(11(2)21-23)13-5-4-12(9-14(13)18)22-7-3-6-19-22/h3-9,21H,1-2H3
InChIKeyYFUCNTIYERJEDK-UHFFFAOYSA-N
XLogP2.63
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-pyrazol-1-ylphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-(2-fluoro-4-pyrazol-1-ylphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 59028644) is 3-(2-fluoro-4-pyrazol-1-ylphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-(2-fluoro-4-pyrazol-1-ylphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-(2-fluoro-4-pyrazol-1-ylphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]c(C)c(-c3ccc(-n4cccn4)cc3F)c2n1.
What is the InChIKey of 3-(2-fluoro-4-pyrazol-1-ylphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is YFUCNTIYERJEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O/c1-10-8-15(24)23-17(20-10)16(11(2)21-23)13-5-4-12(9-14(13)18)22-7-3-6-19-22/h3-9,21H,1-2H3.
What are the key properties of 3-(2-fluoro-4-pyrazol-1-ylphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-(2-fluoro-4-pyrazol-1-ylphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 323.33 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-pyrazol-1-ylphenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 59028644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).