5-(furan-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

C16H14F3N5O3 — CID 2946641

IUPAC5-(furan-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(NC(=O)c2cc3n(n2)C(C(F)(F)F)CC(c2ccco2)N3)no1
InChIInChI=1S/C16H14F3N5O3/c1-8-5-13(23-27-8)21-15(25)10-7-14-20-9(11-3-2-4-26-11)6-12(16(17,18)19)24(14)22-10/h2-5,7,9,12,20H,6H2,1H3,(H,21,23,25)
InChIKeyICTMUMKGDMJSKE-UHFFFAOYSA-N
MW381.31 g/mol
LogP3.69
Rot. Bonds3

About 5-(furan-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

5-(furan-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2946641) has the molecular formula C16H14F3N5O3 and a molecular weight of 381.31 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID2946641
Molecular FormulaC16H14F3N5O3
Molecular Weight381.31 g/mol
Exact Mass381.10
IUPAC Name5-(furan-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(NC(=O)c2cc3n(n2)C(C(F)(F)F)CC(c2ccco2)N3)no1
InChIInChI=1S/C16H14F3N5O3/c1-8-5-13(23-27-8)21-15(25)10-7-14-20-9(11-3-2-4-26-11)6-12(16(17,18)19)24(14)22-10/h2-5,7,9,12,20H,6H2,1H3,(H,21,23,25)
InChIKeyICTMUMKGDMJSKE-UHFFFAOYSA-N
XLogP3.69
TPSA98.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-Furan-2-yl-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (4-ethoxy-phenyl)-amide
CID 645018
(5-Furan-2-yl-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidin-2-yl)-[4-(2-methoxy-phenyl)-piperazin-1-yl]-methanone
CID 653854
5-Furan-2-yl-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid methyl-phenyl-amide
CID 654439
5-Furan-2-yl-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (5-methyl-2-phenyl-2H-pyrazol-3-yl)-amide
CID 654992
5-Furan-2-yl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid cyclopentylamide
CID 1164899
5-(2-furyl)-N-methyl-N-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3245996
5-Furan-2-yl-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (4-methoxy-phenyl)-amide
CID 651321
5-Furan-2-yl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid isopropylamide
CID 822234
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-(2-furyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2884848
[5-(2-furyl)-7-(trifluoromethyl)(4H,5H,6H,7H-pyrazolo[1,5-a]1,3-diazaperhydroi n-2-yl)]-N-(methylethyl)carboxamide
CID 3148191
5-Furan-2-yl-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid cycloheptylamide
CID 649527
5-(furan-2-yl)-N-(4-hydroxyphenyl)-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 655398

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 2946641) is 5-(furan-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(NC(=O)c2cc3n(n2)C(C(F)(F)F)CC(c2ccco2)N3)no1.
What is the InChIKey of 5-(furan-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is ICTMUMKGDMJSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O3/c1-8-5-13(23-27-8)21-15(25)10-7-14-20-9(11-3-2-4-26-11)6-12(16(17,18)19)24(14)22-10/h2-5,7,9,12,20H,6H2,1H3,(H,21,23,25).
What are the key properties of 5-(furan-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-(furan-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 381.31 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2946641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).