5-(5-chlorothiophen-2-yl)-N-(5-methyl-2-pyridinyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C18H11ClF3N5OS — CID 999518

IUPAC5-(5-chlorothiophen-2-yl)-N-(5-methyl-2-pyridinyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc3nc(-c4ccc(Cl)s4)cc(C(F)(F)F)n3n2)nc1
InChIInChI=1S/C18H11ClF3N5OS/c1-9-2-5-15(23-8-9)25-17(28)11-7-16-24-10(12-3-4-14(19)29-12)6-13(18(20,21)22)27(16)26-11/h2-8H,1H3,(H,23,25,28)
InChIKeyBRSVFLWRHUWGAV-UHFFFAOYSA-N
MW437.83 g/mol
LogP5.09
Rot. Bonds3

About 5-(5-chlorothiophen-2-yl)-N-(5-methyl-2-pyridinyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

5-(5-chlorothiophen-2-yl)-N-(5-methyl-2-pyridinyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 999518) has the molecular formula C18H11ClF3N5OS and a molecular weight of 437.83 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-N-(5-methyl-2-pyridinyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-N-(5-methyl-2-pyridinyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID999518
Molecular FormulaC18H11ClF3N5OS
Molecular Weight437.83 g/mol
Exact Mass437.03
IUPAC Name5-(5-chlorothiophen-2-yl)-N-(5-methyl-2-pyridinyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc3nc(-c4ccc(Cl)s4)cc(C(F)(F)F)n3n2)nc1
InChIInChI=1S/C18H11ClF3N5OS/c1-9-2-5-15(23-8-9)25-17(28)11-7-16-24-10(12-3-4-14(19)29-12)6-13(18(20,21)22)27(16)26-11/h2-8H,1H3,(H,23,25,28)
InChIKeyBRSVFLWRHUWGAV-UHFFFAOYSA-N
XLogP5.09
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.83
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-N-(5-methyl-2-pyridinyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-N-(5-methyl-2-pyridinyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 999518) is 5-(5-chlorothiophen-2-yl)-N-(5-methyl-2-pyridinyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-N-(5-methyl-2-pyridinyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-N-(5-methyl-2-pyridinyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccc(NC(=O)c2cc3nc(-c4ccc(Cl)s4)cc(C(F)(F)F)n3n2)nc1.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-N-(5-methyl-2-pyridinyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is BRSVFLWRHUWGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF3N5OS/c1-9-2-5-15(23-8-9)25-17(28)11-7-16-24-10(12-3-4-14(19)29-12)6-13(18(20,21)22)27(16)26-11/h2-8H,1H3,(H,23,25,28).
What are the key properties of 5-(5-chlorothiophen-2-yl)-N-(5-methyl-2-pyridinyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-(5-chlorothiophen-2-yl)-N-(5-methyl-2-pyridinyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 437.83 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-N-(5-methyl-2-pyridinyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 999518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).