4-[5-chloro-2-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]-1H-pyrimidin-6-one

C14H8ClF3N4O — CID 136947822

IUPAC4-[5-chloro-2-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]-1H-pyrimidin-6-one
SMILESO=c1cc(-c2cc(Cl)ccc2-n2cc(C(F)(F)F)cn2)nc[nH]1
InChIInChI=1S/C14H8ClF3N4O/c15-9-1-2-12(22-6-8(5-21-22)14(16,17)18)10(3-9)11-4-13(23)20-7-19-11/h1-7H,(H,19,20,23)
InChIKeyYXWDKENHDWSLMQ-UHFFFAOYSA-N
MW340.69 g/mol
LogP3.29
Rot. Bonds2

About 4-[5-chloro-2-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]-1H-pyrimidin-6-one

4-[5-chloro-2-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]-1H-pyrimidin-6-one (PubChem CID 136947822) has the molecular formula C14H8ClF3N4O and a molecular weight of 340.69 g/mol. Its IUPAC name is 4-[5-chloro-2-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[5-chloro-2-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]-1H-pyrimidin-6-one
PubChem CID136947822
Molecular FormulaC14H8ClF3N4O
Molecular Weight340.69 g/mol
Exact Mass340.03
IUPAC Name4-[5-chloro-2-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]-1H-pyrimidin-6-one
SMILESO=c1cc(-c2cc(Cl)ccc2-n2cc(C(F)(F)F)cn2)nc[nH]1
InChIInChI=1S/C14H8ClF3N4O/c15-9-1-2-12(22-6-8(5-21-22)14(16,17)18)10(3-9)11-4-13(23)20-7-19-11/h1-7H,(H,19,20,23)
InChIKeyYXWDKENHDWSLMQ-UHFFFAOYSA-N
XLogP3.29
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.69
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 45832342
methyl N-[2-[(3S,6R,10S)-10-[4-[5-chloro-2-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]-6-oxopyrimidin-1-yl]-6-methyl-5-oxo-4-azabicyclo[9.3.1]pentadeca-1(15),11,13-trien-3-yl]ethyl]carbamate
CID 172451889
6-(5-Chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)phenyl)pyrimidin-4(3H)-one
CID 136947796
[1-(2-trifluoromethyl-4-chlorophenyl)-5-cyclopropyl-1H-pyrazole-4-carbonyl]guanidine
CID 9929368
5-cyano-1-[2-(trifluoromethyl)-4-chlorophenyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 13654090
5-chloro-N-methyl-1-[2-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 13821946
1-(4-chlorophenyl)-N-(2-phenylethyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 17554824
N-benzyl-1-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 17561570
1-[4-chloro-2-(trifluoromethyl)phenyl]-5-cyclopropyl-N-(diaminomethylidene)pyrazole-4-carboxamide;hydrochloride
CID 22267669
(E)-3-[1-[3,5-bis(trifluoromethyl)phenyl]-3-(3-chlorophenyl)pyrazol-4-yl]-N-cyanoprop-2-enamide
CID 25152270
1-(4-chlorophenyl)-N-(cyclohexylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 68418074
N-[2-(3-chlorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 90724508

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[5-chloro-2-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]-1H-pyrimidin-6-one (CID 136947822) is 4-[5-chloro-2-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[5-chloro-2-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[5-chloro-2-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]-1H-pyrimidin-6-one is O=c1cc(-c2cc(Cl)ccc2-n2cc(C(F)(F)F)cn2)nc[nH]1.
What is the InChIKey of 4-[5-chloro-2-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]-1H-pyrimidin-6-one?
The InChIKey is YXWDKENHDWSLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N4O/c15-9-1-2-12(22-6-8(5-21-22)14(16,17)18)10(3-9)11-4-13(23)20-7-19-11/h1-7H,(H,19,20,23).
What are the key properties of 4-[5-chloro-2-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]-1H-pyrimidin-6-one?
4-[5-chloro-2-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]-1H-pyrimidin-6-one has a molecular weight of 340.69 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136947822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).