5-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrimidin-6-one

C8H4ClF3N4O — CID 136984723

IUPAC5-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(-n2ccc(C(F)(F)F)n2)c1Cl
InChIInChI=1S/C8H4ClF3N4O/c9-5-6(13-3-14-7(5)17)16-2-1-4(15-16)8(10,11)12/h1-3H,(H,13,14,17)
InChIKeyDNMCLROVDXLRQG-UHFFFAOYSA-N
MW264.59 g/mol
LogP1.63
Rot. Bonds1

About 5-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrimidin-6-one

5-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrimidin-6-one (PubChem CID 136984723) has the molecular formula C8H4ClF3N4O and a molecular weight of 264.59 g/mol. Its IUPAC name is 5-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrimidin-6-one
PubChem CID136984723
Molecular FormulaC8H4ClF3N4O
Molecular Weight264.59 g/mol
Exact Mass264.00
IUPAC Name5-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(-n2ccc(C(F)(F)F)n2)c1Cl
InChIInChI=1S/C8H4ClF3N4O/c9-5-6(13-3-14-7(5)17)16-2-1-4(15-16)8(10,11)12/h1-3H,(H,13,14,17)
InChIKeyDNMCLROVDXLRQG-UHFFFAOYSA-N
XLogP1.63
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.59
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
CID 79633439
6-chloro-3-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-4-one
CID 86001995
5-bromo-6-chloro-3-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyridazin-4-one
CID 86002003
N-methyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-7H-purin-2-amine
CID 114786674
3,6-dichloro-5-[3-(trifluoromethyl)pyrazol-1-yl]-1,2,4-triazine
CID 81036576
3-bromo-5-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]pyridine
CID 114837465
2-chloro-5-methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
CID 79072534
1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazole
CID 54050324
1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-1,2,4-triazole-3-carbothioamide
CID 137008297
4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyridin-2-one
CID 145437201
1-(2,6-dichlorophenyl)-3-(trifluoromethyl)pyrazole
CID 154211349
1-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]phthalazine
CID 62140435

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrimidin-6-one (CID 136984723) is 5-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrimidin-6-one is O=c1[nH]cnc(-n2ccc(C(F)(F)F)n2)c1Cl.
What is the InChIKey of 5-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrimidin-6-one?
The InChIKey is DNMCLROVDXLRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3N4O/c9-5-6(13-3-14-7(5)17)16-2-1-4(15-16)8(10,11)12/h1-3H,(H,13,14,17).
What are the key properties of 5-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrimidin-6-one?
5-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrimidin-6-one has a molecular weight of 264.59 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[3-(trifluoromethyl)pyrazol-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136984723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).