N-(3,5-dichlorophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide

C17H10Cl2N4OS — CID 19590478

IUPACN-(3,5-dichlorophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1cc2nccc(-c3cccs3)n2n1
InChIInChI=1S/C17H10Cl2N4OS/c18-10-6-11(19)8-12(7-10)21-17(24)13-9-16-20-4-3-14(23(16)22-13)15-2-1-5-25-15/h1-9H,(H,21,24)
InChIKeyUFWNEYJLEUWKGS-UHFFFAOYSA-N
MW389.27 g/mol
LogP5.02
Rot. Bonds3

About N-(3,5-dichlorophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide

N-(3,5-dichlorophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19590478) has the molecular formula C17H10Cl2N4OS and a molecular weight of 389.27 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19590478
Molecular FormulaC17H10Cl2N4OS
Molecular Weight389.27 g/mol
Exact Mass388.00
IUPAC NameN-(3,5-dichlorophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)c1cc2nccc(-c3cccs3)n2n1
InChIInChI=1S/C17H10Cl2N4OS/c18-10-6-11(19)8-12(7-10)21-17(24)13-9-16-20-4-3-14(23(16)22-13)15-2-1-5-25-15/h1-9H,(H,21,24)
InChIKeyUFWNEYJLEUWKGS-UHFFFAOYSA-N
XLogP5.02
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.27
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-2-carbohydrazide
CID 19620217
N-(1H-indazol-6-yl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19615840
2,3-dihydroindol-1-yl-(7-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-2-yl)methanone
CID 19615898
N-(4-acetamidophenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 163264403
N-(3,5-dichlorophenyl)-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide
CID 19469924
7-(4-chloro-2-fluorophenyl)-N-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 167400875
N-phenyl-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19453631
N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19408642
7-(1,5-dimethylpyrazol-4-yl)-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19468297
N-(2-benzoyl-4-chlorophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416651
N-(3-chloro-2-methylphenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19416628
N-(2-imidazol-1-ylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 122300931

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19590478) is N-(3,5-dichlorophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(Nc1cc(Cl)cc(Cl)c1)c1cc2nccc(-c3cccs3)n2n1.
What is the InChIKey of N-(3,5-dichlorophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is UFWNEYJLEUWKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2N4OS/c18-10-6-11(19)8-12(7-10)21-17(24)13-9-16-20-4-3-14(23(16)22-13)15-2-1-5-25-15/h1-9H,(H,21,24).
What are the key properties of N-(3,5-dichlorophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-(3,5-dichlorophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 389.27 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19590478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).