5-fluoro-4-methyl-2-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one

C8H7FN4O — CID 137272470

IUPAC5-fluoro-4-methyl-2-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one
SMILESCc1nc(-c2cn[nH]c2)[nH]c(=O)c1F
InChIInChI=1S/C8H7FN4O/c1-4-6(9)8(14)13-7(12-4)5-2-10-11-3-5/h2-3H,1H3,(H,10,11)(H,12,13,14)
InChIKeyCYDPYKGIBHBSEN-UHFFFAOYSA-N
MW194.17 g/mol
LogP0.61
Rot. Bonds1

About 5-fluoro-4-methyl-2-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one

5-fluoro-4-methyl-2-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one (PubChem CID 137272470) has the molecular formula C8H7FN4O and a molecular weight of 194.17 g/mol. Its IUPAC name is 5-fluoro-4-methyl-2-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-4-methyl-2-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one
PubChem CID137272470
Molecular FormulaC8H7FN4O
Molecular Weight194.17 g/mol
Exact Mass194.06
IUPAC Name5-fluoro-4-methyl-2-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one
SMILESCc1nc(-c2cn[nH]c2)[nH]c(=O)c1F
InChIInChI=1S/C8H7FN4O/c1-4-6(9)8(14)13-7(12-4)5-2-10-11-3-5/h2-3H,1H3,(H,10,11)(H,12,13,14)
InChIKeyCYDPYKGIBHBSEN-UHFFFAOYSA-N
XLogP0.61
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-4-methyl-2-(1H-pyrazol-4-yl)-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 5-fluoro-4-methyl-2-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-4-methyl-2-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one (CID 137272470) is 5-fluoro-4-methyl-2-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-4-methyl-2-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-4-methyl-2-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one is Cc1nc(-c2cn[nH]c2)[nH]c(=O)c1F.
What is the InChIKey of 5-fluoro-4-methyl-2-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one?
The InChIKey is CYDPYKGIBHBSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN4O/c1-4-6(9)8(14)13-7(12-4)5-2-10-11-3-5/h2-3H,1H3,(H,10,11)(H,12,13,14).
What are the key properties of 5-fluoro-4-methyl-2-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one?
5-fluoro-4-methyl-2-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one has a molecular weight of 194.17 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-2-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137272470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).