4-[3-chloro-6-[1-(difluoromethyl)pyrazol-4-yl]-2-fluorophenyl]-1H-pyrimidin-6-one

C14H8ClF3N4O — CID 136947805

IUPAC4-[3-chloro-6-[1-(difluoromethyl)pyrazol-4-yl]-2-fluorophenyl]-1H-pyrimidin-6-one
SMILESO=c1cc(-c2c(-c3cnn(C(F)F)c3)ccc(Cl)c2F)nc[nH]1
InChIInChI=1S/C14H8ClF3N4O/c15-9-2-1-8(7-4-21-22(5-7)14(17)18)12(13(9)16)10-3-11(23)20-6-19-10/h1-6,14H,(H,19,20,23)
InChIKeyBEBLBAABKNILFF-UHFFFAOYSA-N
MW340.69 g/mol
LogP3.49
Rot. Bonds3

About 4-[3-chloro-6-[1-(difluoromethyl)pyrazol-4-yl]-2-fluorophenyl]-1H-pyrimidin-6-one

4-[3-chloro-6-[1-(difluoromethyl)pyrazol-4-yl]-2-fluorophenyl]-1H-pyrimidin-6-one (PubChem CID 136947805) has the molecular formula C14H8ClF3N4O and a molecular weight of 340.69 g/mol. Its IUPAC name is 4-[3-chloro-6-[1-(difluoromethyl)pyrazol-4-yl]-2-fluorophenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-chloro-6-[1-(difluoromethyl)pyrazol-4-yl]-2-fluorophenyl]-1H-pyrimidin-6-one
PubChem CID136947805
Molecular FormulaC14H8ClF3N4O
Molecular Weight340.69 g/mol
Exact Mass340.03
IUPAC Name4-[3-chloro-6-[1-(difluoromethyl)pyrazol-4-yl]-2-fluorophenyl]-1H-pyrimidin-6-one
SMILESO=c1cc(-c2c(-c3cnn(C(F)F)c3)ccc(Cl)c2F)nc[nH]1
InChIInChI=1S/C14H8ClF3N4O/c15-9-2-1-8(7-4-21-22(5-7)14(17)18)12(13(9)16)10-3-11(23)20-6-19-10/h1-6,14H,(H,19,20,23)
InChIKeyBEBLBAABKNILFF-UHFFFAOYSA-N
XLogP3.49
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.69
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[3-chloro-6-[1-(difluoromethyl)pyrazol-4-yl]-2-fluorophenyl]-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

Related Compounds

5-[[(4-Chlorophenyl)-(1-methyl-3-pent-1-en-2-ylpyrazol-4-yl)methyl]amino]-3-fluoro-1-methylpyridin-2-one
CID 130256228
4-(4-chlorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrimidin-6-one
CID 136136769
4-(3-chlorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrimidin-6-one
CID 136136799
6-(3-Chloro-2-fluoro-6-(4-(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)pyrimidin-4-ol
CID 136947809
6-(5-chloro-2-(1-(difluoromethyl)-1H-pyrazol-4-yl)phenyl)pyrimidin-4-ol
CID 136947816
1-(4-chloro-3-fluoro-2-(6-hydroxypyrimidin-4-yl)phenyl)-1H-pyrazole-4-carbonitrile
CID 136947821
6-{5-Chloro-2-[4-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}pyrimidin-4-ol
CID 136947822
4-[1-[1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-2-methyl-1H-pyrimidin-6-one
CID 137026696
4-[2-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-1H-pyrimidin-6-one
CID 137180186
4-[1-[(1S)-1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-2-methyl-1H-pyrimidin-6-one
CID 137310142
4-[1-[(1R)-1-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-2-methyl-1H-pyrimidin-6-one
CID 137310178
N-[(5-chloro-2-propan-2-ylphenyl)methyl]-3-fluoro-1-methylpyrazole-4-carboxamide
CID 141433348

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-6-[1-(difluoromethyl)pyrazol-4-yl]-2-fluorophenyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-chloro-6-[1-(difluoromethyl)pyrazol-4-yl]-2-fluorophenyl]-1H-pyrimidin-6-one (CID 136947805) is 4-[3-chloro-6-[1-(difluoromethyl)pyrazol-4-yl]-2-fluorophenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-chloro-6-[1-(difluoromethyl)pyrazol-4-yl]-2-fluorophenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-chloro-6-[1-(difluoromethyl)pyrazol-4-yl]-2-fluorophenyl]-1H-pyrimidin-6-one is O=c1cc(-c2c(-c3cnn(C(F)F)c3)ccc(Cl)c2F)nc[nH]1.
What is the InChIKey of 4-[3-chloro-6-[1-(difluoromethyl)pyrazol-4-yl]-2-fluorophenyl]-1H-pyrimidin-6-one?
The InChIKey is BEBLBAABKNILFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N4O/c15-9-2-1-8(7-4-21-22(5-7)14(17)18)12(13(9)16)10-3-11(23)20-6-19-10/h1-6,14H,(H,19,20,23).
What are the key properties of 4-[3-chloro-6-[1-(difluoromethyl)pyrazol-4-yl]-2-fluorophenyl]-1H-pyrimidin-6-one?
4-[3-chloro-6-[1-(difluoromethyl)pyrazol-4-yl]-2-fluorophenyl]-1H-pyrimidin-6-one has a molecular weight of 340.69 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-6-[1-(difluoromethyl)pyrazol-4-yl]-2-fluorophenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136947805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).