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

C17H10ClF3N4O2S — CID 1103668

IUPAC3-chloro-N-(furan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1ccco1)c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Cl
InChIInChI=1S/C17H10ClF3N4O2S/c18-13-14(16(26)22-8-9-3-1-5-27-9)24-25-12(17(19,20)21)7-10(23-15(13)25)11-4-2-6-28-11/h1-7H,8H2,(H,22,26)
InChIKeyYNQCXSMSMTZTRH-UHFFFAOYSA-N
MW426.81 g/mol
LogP4.65
Rot. Bonds4

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

3-chloro-N-(furan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1103668) has the molecular formula C17H10ClF3N4O2S and a molecular weight of 426.81 g/mol. Its IUPAC name is 3-chloro-N-(furan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(furan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1103668
Molecular FormulaC17H10ClF3N4O2S
Molecular Weight426.81 g/mol
Exact Mass426.02
IUPAC Name3-chloro-N-(furan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1ccco1)c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Cl
InChIInChI=1S/C17H10ClF3N4O2S/c18-13-14(16(26)22-8-9-3-1-5-27-9)24-25-12(17(19,20)21)7-10(23-15(13)25)11-4-2-6-28-11/h1-7H,8H2,(H,22,26)
InChIKeyYNQCXSMSMTZTRH-UHFFFAOYSA-N
XLogP4.65
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.81
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Anguizole
CID 1046082
3-chloro-5-(2-furanyl)-N-propan-2-yl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide
CID 1068704
7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(tetrahydrofuran-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3962313
N-(2-furanylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide
CID 1101933
3-bromo-N-(furan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1101984
(5S,7R)-3-chloro-5-(2-furyl)-N-(2-thienylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1127738
2-Furan-2-yl-7-thiophen-2-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
CID 10125423
5-Thiophen-2-yl-7-trifluoromethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid (furan-2-ylmethyl)-amide
CID 654450
N-(furan-2-ylmethyl)-3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 3435520
N-[2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]quinoxalin-4-yl]thiophene-2-carboxamide
CID 25099116
3-chloro-N-(tetrahydro-2-furanylmethyl)-5-(2-thienyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2860394
3-chloro-5-(2-furyl)-N-(2-thienylmethyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2883967

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(furan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-chloro-N-(furan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1103668) is 3-chloro-N-(furan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(furan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-chloro-N-(furan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NCc1ccco1)c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Cl.
What is the InChIKey of 3-chloro-N-(furan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is YNQCXSMSMTZTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF3N4O2S/c18-13-14(16(26)22-8-9-3-1-5-27-9)24-25-12(17(19,20)21)7-10(23-15(13)25)11-4-2-6-28-11/h1-7H,8H2,(H,22,26).
What are the key properties of 3-chloro-N-(furan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-chloro-N-(furan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 426.81 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(furan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1103668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).