N-(2,3-dichlorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H9Cl2F3N4O2 — CID 22333526

IUPACN-(2,3-dichlorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12
InChIInChI=1S/C18H9Cl2F3N4O2/c19-10-3-1-4-11(15(10)20)26-17(28)9-8-24-27-14(18(21,22)23)7-12(25-16(9)27)13-5-2-6-29-13/h1-8H,(H,26,28)
InChIKeyZOMCOWVZKPLYFP-UHFFFAOYSA-N
MW441.20 g/mol
LogP5.57
Rot. Bonds3

About N-(2,3-dichlorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(2,3-dichlorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 22333526) has the molecular formula C18H9Cl2F3N4O2 and a molecular weight of 441.20 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID22333526
Molecular FormulaC18H9Cl2F3N4O2
Molecular Weight441.20 g/mol
Exact Mass440.01
IUPAC NameN-(2,3-dichlorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12
InChIInChI=1S/C18H9Cl2F3N4O2/c19-10-3-1-4-11(15(10)20)26-17(28)9-8-24-27-14(18(21,22)23)7-12(25-16(9)27)13-5-2-6-29-13/h1-8H,(H,26,28)
InChIKeyZOMCOWVZKPLYFP-UHFFFAOYSA-N
XLogP5.57
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.20
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1370067
N-[4-[(6-chloropyridazin-3-yl)amino]phenyl]-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19575526
N-[(4-chlorophenyl)methyl]-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2871894
N-(1,3-benzodioxol-5-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1369870
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 6615987
N-[3-(dimethylamino)propyl]-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4771156
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2171094
5-(furan-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 6991804
(3,5-dimethylpyrazol-1-yl)-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 4772703
N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4770530
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 2228775
3-(3-chlorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 40771635

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 22333526) is N-(2,3-dichlorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cccc(Cl)c1Cl)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12.
What is the InChIKey of N-(2,3-dichlorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZOMCOWVZKPLYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9Cl2F3N4O2/c19-10-3-1-4-11(15(10)20)26-17(28)9-8-24-27-14(18(21,22)23)7-12(25-16(9)27)13-5-2-6-29-13/h1-8H,(H,26,28).
What are the key properties of N-(2,3-dichlorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(2,3-dichlorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 441.20 g/mol, XLogP of 5.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 22333526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).