N-(4-cyanophenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C19H10F3N5OS — CID 1101970

IUPACN-(4-cyanophenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)cc1
InChIInChI=1S/C19H10F3N5OS/c20-19(21,22)16-8-13(15-2-1-7-29-15)25-17-9-14(26-27(16)17)18(28)24-12-5-3-11(10-23)4-6-12/h1-9H,(H,24,28)
InChIKeyGDZPZNINUIHBAR-UHFFFAOYSA-N
MW413.38 g/mol
LogP4.60
Rot. Bonds3

About N-(4-cyanophenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-(4-cyanophenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1101970) has the molecular formula C19H10F3N5OS and a molecular weight of 413.38 g/mol. Its IUPAC name is N-(4-cyanophenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1101970
Molecular FormulaC19H10F3N5OS
Molecular Weight413.38 g/mol
Exact Mass413.06
IUPAC NameN-(4-cyanophenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)cc1
InChIInChI=1S/C19H10F3N5OS/c20-19(21,22)16-8-13(15-2-1-7-29-15)25-17-9-14(26-27(16)17)18(28)24-12-5-3-11(10-23)4-6-12/h1-9H,(H,24,28)
InChIKeyGDZPZNINUIHBAR-UHFFFAOYSA-N
XLogP4.60
TPSA83.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.38
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1101970) is N-(4-cyanophenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is N#Cc1ccc(NC(=O)c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is GDZPZNINUIHBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F3N5OS/c20-19(21,22)16-8-13(15-2-1-7-29-15)25-17-9-14(26-27(16)17)18(28)24-12-5-3-11(10-23)4-6-12/h1-9H,(H,24,28).
What are the key properties of N-(4-cyanophenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-(4-cyanophenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 413.38 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1101970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).