3-(4-fluorophenyl)-5-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C18H14FN5O — CID 46973751

IUPAC3-(4-fluorophenyl)-5-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2n[nH]c3c2CCC3)nc2c(-c3ccc(F)cc3)c[nH]n12
InChIInChI=1S/C18H14FN5O/c19-11-6-4-10(5-7-11)13-9-20-24-16(25)8-15(21-18(13)24)17-12-2-1-3-14(12)22-23-17/h4-9,20H,1-3H2,(H,22,23)
InChIKeyRSIAOPJGSQTVIH-UHFFFAOYSA-N
MW335.34 g/mol
LogP2.71
Rot. Bonds2

About 3-(4-fluorophenyl)-5-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-(4-fluorophenyl)-5-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 46973751) has the molecular formula C18H14FN5O and a molecular weight of 335.34 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID46973751
Molecular FormulaC18H14FN5O
Molecular Weight335.34 g/mol
Exact Mass335.12
IUPAC Name3-(4-fluorophenyl)-5-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2n[nH]c3c2CCC3)nc2c(-c3ccc(F)cc3)c[nH]n12
InChIInChI=1S/C18H14FN5O/c19-11-6-4-10(5-7-11)13-9-20-24-16(25)8-15(21-18(13)24)17-12-2-1-3-14(12)22-23-17/h4-9,20H,1-3H2,(H,22,23)
InChIKeyRSIAOPJGSQTVIH-UHFFFAOYSA-N
XLogP2.71
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-(4-fluorophenyl)-5-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 46973751) is 3-(4-fluorophenyl)-5-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-(4-fluorophenyl)-5-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-(4-fluorophenyl)-5-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(-c2n[nH]c3c2CCC3)nc2c(-c3ccc(F)cc3)c[nH]n12.
What is the InChIKey of 3-(4-fluorophenyl)-5-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is RSIAOPJGSQTVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O/c19-11-6-4-10(5-7-11)13-9-20-24-16(25)8-15(21-18(13)24)17-12-2-1-3-14(12)22-23-17/h4-9,20H,1-3H2,(H,22,23).
What are the key properties of 3-(4-fluorophenyl)-5-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-(4-fluorophenyl)-5-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 335.34 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 46973751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).