4-[2-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-1H-pyrimidin-6-one

C14H10F2N4O — CID 137180186

IUPAC4-[2-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccccc2-c2cnn(C(F)F)c2)nc[nH]1
InChIInChI=1S/C14H10F2N4O/c15-14(16)20-7-9(6-19-20)10-3-1-2-4-11(10)12-5-13(21)18-8-17-12/h1-8,14H,(H,17,18,21)
InChIKeyAPQDVHDDXKDWGS-UHFFFAOYSA-N
MW288.26 g/mol
LogP2.70
Rot. Bonds3

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

4-[2-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-1H-pyrimidin-6-one (PubChem CID 137180186) has the molecular formula C14H10F2N4O and a molecular weight of 288.26 g/mol. Its IUPAC name is 4-[2-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-1H-pyrimidin-6-one
PubChem CID137180186
Molecular FormulaC14H10F2N4O
Molecular Weight288.26 g/mol
Exact Mass288.08
IUPAC Name4-[2-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccccc2-c2cnn(C(F)F)c2)nc[nH]1
InChIInChI=1S/C14H10F2N4O/c15-14(16)20-7-9(6-19-20)10-3-1-2-4-11(10)12-5-13(21)18-8-17-12/h1-8,14H,(H,17,18,21)
InChIKeyAPQDVHDDXKDWGS-UHFFFAOYSA-N
XLogP2.70
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-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

US10829487, Example I-172
CID 138751149
US9763922, Example 22
CID 138805945
US9763922, Example 26
CID 138805947
4-phenyl-2-pyrazol-1-yl-1H-pyrimidin-6-one
CID 162667916
2-[1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]pyrazol-4-yl]-4-methyl-1H-pyrimidin-6-one
CID 137129920
US10617680, Example 42
CID 135355412
N-[(1-benzylpyrazol-4-yl)methyl]-3,3,3-trifluoropropanamide
CID 47036218
2-[2-[[methyl(2-pyrazol-1-ylethyl)amino]methyl]phenyl]-4-propyl-1H-pyrimidin-6-one
CID 136037710
7-(difluoromethyl)-5-methylidene-N-[[2-(trifluoromethyl)phenyl]methyl]-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136153045
US10617680, Example 200
CID 135355404
5-methyl-2-[4-({methyl[(1-methyl-1H-pyrazol-4-yl)methyl]amino}methyl)phenyl]-6-(trifluoromethyl)pyrimidin-4(3
CID 136030061
N-(diaminomethylidene)-1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]cyclopropyl]pyrazole-4-carboxamide
CID 90837010

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-1H-pyrimidin-6-one (CID 137180186) is 4-[2-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-1H-pyrimidin-6-one is O=c1cc(-c2ccccc2-c2cnn(C(F)F)c2)nc[nH]1.
What is the InChIKey of 4-[2-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-1H-pyrimidin-6-one?
The InChIKey is APQDVHDDXKDWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N4O/c15-14(16)20-7-9(6-19-20)10-3-1-2-4-11(10)12-5-13(21)18-8-17-12/h1-8,14H,(H,17,18,21).
What are the key properties of 4-[2-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-1H-pyrimidin-6-one?
4-[2-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-1H-pyrimidin-6-one has a molecular weight of 288.26 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137180186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).