2-[2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C17H11ClF3N5O2 — CID 59723511

IUPAC2-[2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1NCCn2nc(-c3ccnc(-c4ccc(OC(F)(F)F)c(Cl)c4)n3)cc21
InChIInChI=1S/C17H11ClF3N5O2/c18-10-7-9(1-2-14(10)28-17(19,20)21)15-22-4-3-11(24-15)12-8-13-16(27)23-5-6-26(13)25-12/h1-4,7-8H,5-6H2,(H,23,27)
InChIKeyJOQKWDXWLYWJDF-UHFFFAOYSA-N
MW409.76 g/mol
LogP3.30
Rot. Bonds3

About 2-[2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

2-[2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 59723511) has the molecular formula C17H11ClF3N5O2 and a molecular weight of 409.76 g/mol. Its IUPAC name is 2-[2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-[2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID59723511
Molecular FormulaC17H11ClF3N5O2
Molecular Weight409.76 g/mol
Exact Mass409.06
IUPAC Name2-[2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1NCCn2nc(-c3ccnc(-c4ccc(OC(F)(F)F)c(Cl)c4)n3)cc21
InChIInChI=1S/C17H11ClF3N5O2/c18-10-7-9(1-2-14(10)28-17(19,20)21)15-22-4-3-11(24-15)12-8-13-16(27)23-5-6-26(13)25-12/h1-4,7-8H,5-6H2,(H,23,27)
InChIKeyJOQKWDXWLYWJDF-UHFFFAOYSA-N
XLogP3.30
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.76
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-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

4-[[(3-Chloro-4-methoxyphenyl)methyl]amino]-1-ethyl-n-(4-pyridinylmethyl)-1h-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 9933503
(3-Chloro-4-methoxyphenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10789215
5-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1111000
US11186582, Example 308
CID 118479649
5-(5-Chloropyridin-2-yl)-2-(((4-(difluoromethoxy)-2-fluorophenyl)amino)methyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5h)-one
CID 118575120
(S)-N-((R or S)-3-chloro-4-(trifluoro-methoxy)phenyl)(2-(trifluoromethyl) pyrimidin-4-yl)methyl)-2-oxoimidazolidine-4-carboxamide
CID 169429115
US11802122, Example 49A
CID 169429116
(4S)-N-[[3-chloro-4-(trifluoromethoxy)phenyl]-[2-(trifluoromethyl)pyrimidin-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 162520880
N-(2-chloropyridin-3-yl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1110998
N-(5-chloro-2-pyridinyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 6616002
1-[(2-chlorophenoxy)methyl]-N-(5-methylpyridin-2-yl)-1H-pyrazole-3-carboxamide
CID 19581810
3-chloro-N-[[3-[4-(difluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazin-5-yl]methyl]benzamide
CID 76311359

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-[2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 59723511) is 2-[2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-[2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-[2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is O=C1NCCn2nc(-c3ccnc(-c4ccc(OC(F)(F)F)c(Cl)c4)n3)cc21.
What is the InChIKey of 2-[2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is JOQKWDXWLYWJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3N5O2/c18-10-7-9(1-2-14(10)28-17(19,20)21)15-22-4-3-11(24-15)12-8-13-16(27)23-5-6-26(13)25-12/h1-4,7-8H,5-6H2,(H,23,27).
What are the key properties of 2-[2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
2-[2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 409.76 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-chloro-4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 59723511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).