2-[5-cyclopropyl-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one

C17H14F2N4O — CID 71621109

IUPAC2-[5-cyclopropyl-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2cc(C3CC3)n(Cc3ccccc3F)n2)ncc1F
InChIInChI=1S/C17H14F2N4O/c18-12-4-2-1-3-11(12)9-23-15(10-5-6-10)7-14(22-23)16-20-8-13(19)17(24)21-16/h1-4,7-8,10H,5-6,9H2,(H,20,21,24)
InChIKeyLTHVONCGYIVQNF-UHFFFAOYSA-N
MW328.32 g/mol
LogP2.84
Rot. Bonds4

About 2-[5-cyclopropyl-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one

2-[5-cyclopropyl-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one (PubChem CID 71621109) has the molecular formula C17H14F2N4O and a molecular weight of 328.32 g/mol. Its IUPAC name is 2-[5-cyclopropyl-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[5-cyclopropyl-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one
PubChem CID71621109
Molecular FormulaC17H14F2N4O
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Name2-[5-cyclopropyl-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2cc(C3CC3)n(Cc3ccccc3F)n2)ncc1F
InChIInChI=1S/C17H14F2N4O/c18-12-4-2-1-3-11(12)9-23-15(10-5-6-10)7-14(22-23)16-20-8-13(19)17(24)21-16/h1-4,7-8,10H,5-6,9H2,(H,20,21,24)
InChIKeyLTHVONCGYIVQNF-UHFFFAOYSA-N
XLogP2.84
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[5-cyclopropyl-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one?
The IUPAC name of 2-[5-cyclopropyl-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one (CID 71621109) is 2-[5-cyclopropyl-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[5-cyclopropyl-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one?
The canonical SMILES for 2-[5-cyclopropyl-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one is O=c1[nH]c(-c2cc(C3CC3)n(Cc3ccccc3F)n2)ncc1F.
What is the InChIKey of 2-[5-cyclopropyl-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one?
The InChIKey is LTHVONCGYIVQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4O/c18-12-4-2-1-3-11(12)9-23-15(10-5-6-10)7-14(22-23)16-20-8-13(19)17(24)21-16/h1-4,7-8,10H,5-6,9H2,(H,20,21,24).
What are the key properties of 2-[5-cyclopropyl-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one?
2-[5-cyclopropyl-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one has a molecular weight of 328.32 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-5-fluoro-1H-pyrimidin-6-one is sourced from PubChem (CID 71621109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).