5-fluoro-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidin-4-one

C11H11FN4O — CID 167855554

IUPAC5-fluoro-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidin-4-one
SMILESO=c1c(F)cncn1Cc1n[nH]c2c1CCC2
InChIInChI=1S/C11H11FN4O/c12-8-4-13-6-16(11(8)17)5-10-7-2-1-3-9(7)14-15-10/h4,6H,1-3,5H2,(H,14,15)
InChIKeyKHEJXAJAXHUFOV-UHFFFAOYSA-N
MW234.23 g/mol
LogP0.64
Rot. Bonds2

About 5-fluoro-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidin-4-one

5-fluoro-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidin-4-one (PubChem CID 167855554) has the molecular formula C11H11FN4O and a molecular weight of 234.23 g/mol. Its IUPAC name is 5-fluoro-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-fluoro-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidin-4-one
PubChem CID167855554
Molecular FormulaC11H11FN4O
Molecular Weight234.23 g/mol
Exact Mass234.09
IUPAC Name5-fluoro-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidin-4-one
SMILESO=c1c(F)cncn1Cc1n[nH]c2c1CCC2
InChIInChI=1S/C11H11FN4O/c12-8-4-13-6-16(11(8)17)5-10-7-2-1-3-9(7)14-15-10/h4,6H,1-3,5H2,(H,14,15)
InChIKeyKHEJXAJAXHUFOV-UHFFFAOYSA-N
XLogP0.64
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidin-4-one?
The IUPAC name of 5-fluoro-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidin-4-one (CID 167855554) is 5-fluoro-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 5-fluoro-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 5-fluoro-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidin-4-one is O=c1c(F)cncn1Cc1n[nH]c2c1CCC2.
What is the InChIKey of 5-fluoro-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidin-4-one?
The InChIKey is KHEJXAJAXHUFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O/c12-8-4-13-6-16(11(8)17)5-10-7-2-1-3-9(7)14-15-10/h4,6H,1-3,5H2,(H,14,15).
What are the key properties of 5-fluoro-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidin-4-one?
5-fluoro-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidin-4-one has a molecular weight of 234.23 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 167855554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).