3-(4-chlorophenyl)-2,5-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C14H6ClF6N3O — CID 51357366

IUPAC3-(4-chlorophenyl)-2,5-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(C(F)(F)F)nc2c(-c3ccc(Cl)cc3)c(C(F)(F)F)[nH]n12
InChIInChI=1S/C14H6ClF6N3O/c15-7-3-1-6(2-4-7)10-11(14(19,20)21)23-24-9(25)5-8(13(16,17)18)22-12(10)24/h1-5,23H
InChIKeyZKSKYSLVVDEIEE-UHFFFAOYSA-N
MW381.66 g/mol
LogP4.38
Rot. Bonds1

About 3-(4-chlorophenyl)-2,5-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-(4-chlorophenyl)-2,5-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 51357366) has the molecular formula C14H6ClF6N3O and a molecular weight of 381.66 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2,5-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2,5-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID51357366
Molecular FormulaC14H6ClF6N3O
Molecular Weight381.66 g/mol
Exact Mass381.01
IUPAC Name3-(4-chlorophenyl)-2,5-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(C(F)(F)F)nc2c(-c3ccc(Cl)cc3)c(C(F)(F)F)[nH]n12
InChIInChI=1S/C14H6ClF6N3O/c15-7-3-1-6(2-4-7)10-11(14(19,20)21)23-24-9(25)5-8(13(16,17)18)22-12(10)24/h1-5,23H
InChIKeyZKSKYSLVVDEIEE-UHFFFAOYSA-N
XLogP4.38
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.66
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-2-methyl-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 753151
2-(4-Chlorophenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7(1h)-one
CID 761950
2-(3-Chloro-phenyl)-5-methyl-pyrazolo[1,5-a]pyrimidin-7-ol
CID 764165
Cambridge id 5677894
CID 867913
2-(4-Chloro-phenyl)-5-propyl-pyrazolo[1,5-a]pyrimidin-7-ol
CID 793394
3-(4-chlorophenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 1079880
3-(4-chlorophenyl)-2-methyl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9(4H)-one
CID 867917
3-(4-Chloro-phenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5,1-b]quinazolin-9-one
CID 650677
3-(4-chlorophenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 753150
2-(4-Chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-ol
CID 819028
3-(4-chlorophenyl)-2,5-dimethyl-6-propylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 1863824
5-(4-chlorophenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 16457428

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2,5-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-(4-chlorophenyl)-2,5-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 51357366) is 3-(4-chlorophenyl)-2,5-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-(4-chlorophenyl)-2,5-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-(4-chlorophenyl)-2,5-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(C(F)(F)F)nc2c(-c3ccc(Cl)cc3)c(C(F)(F)F)[nH]n12.
What is the InChIKey of 3-(4-chlorophenyl)-2,5-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is ZKSKYSLVVDEIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6ClF6N3O/c15-7-3-1-6(2-4-7)10-11(14(19,20)21)23-24-9(25)5-8(13(16,17)18)22-12(10)24/h1-5,23H.
What are the key properties of 3-(4-chlorophenyl)-2,5-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-(4-chlorophenyl)-2,5-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 381.66 g/mol, XLogP of 4.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2,5-bis(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 51357366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).