N-[1-ethyl-3-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C25H22F3N7O3S — CID 19400372

IUPACN-[1-ethyl-3-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cn(CC)nc4C(=O)NCc4ccco4)cc3n2)s1
InChIInChI=1S/C25H22F3N7O3S/c1-3-15-7-8-19(39-15)16-10-20(25(26,27)28)35-21(30-16)11-17(32-35)23(36)31-18-13-34(4-2)33-22(18)24(37)29-12-14-6-5-9-38-14/h5-11,13H,3-4,12H2,1-2H3,(H,29,37)(H,31,36)
InChIKeyHTXLIJIDTPAVFS-UHFFFAOYSA-N
MW557.56 g/mol
LogP5.03
Rot. Bonds8

About N-[1-ethyl-3-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[1-ethyl-3-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19400372) has the molecular formula C25H22F3N7O3S and a molecular weight of 557.56 g/mol. Its IUPAC name is N-[1-ethyl-3-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-ethyl-3-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19400372
Molecular FormulaC25H22F3N7O3S
Molecular Weight557.56 g/mol
Exact Mass557.15
IUPAC NameN-[1-ethyl-3-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cn(CC)nc4C(=O)NCc4ccco4)cc3n2)s1
InChIInChI=1S/C25H22F3N7O3S/c1-3-15-7-8-19(39-15)16-10-20(25(26,27)28)35-21(30-16)11-17(32-35)23(36)31-18-13-34(4-2)33-22(18)24(37)29-12-14-6-5-9-38-14/h5-11,13H,3-4,12H2,1-2H3,(H,29,37)(H,31,36)
InChIKeyHTXLIJIDTPAVFS-UHFFFAOYSA-N
XLogP5.03
TPSA119.35 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.56
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

Anguizole
CID 1046082
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
N-{3-[3-(2-Thienylcarbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl}-2-furamide
CID 44390169
5-Thiophen-2-yl-7-trifluoromethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid (furan-2-ylmethyl)-amide
CID 654450
5-(furan-2-yl)-N-(furan-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 659818
3-chloro-N-(furan-2-ylmethyl)-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1103668
N-(furan-2-ylmethyl)-3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 3435520
1-[4-(Furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-(2-methylthiophen-3-yl)urea
CID 11516748
1-[4-(Furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-(5-methylthiophen-2-yl)urea
CID 11703893
N-[11-butyl-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-2-thiophen-2-ylacetamide
CID 45482085
N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)furan-2-carboxamide
CID 127036562

Frequently Asked Questions

What is the IUPAC name of N-[1-ethyl-3-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[1-ethyl-3-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19400372) is N-[1-ethyl-3-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[1-ethyl-3-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[1-ethyl-3-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cn(CC)nc4C(=O)NCc4ccco4)cc3n2)s1.
What is the InChIKey of N-[1-ethyl-3-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is HTXLIJIDTPAVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N7O3S/c1-3-15-7-8-19(39-15)16-10-20(25(26,27)28)35-21(30-16)11-17(32-35)23(36)31-18-13-34(4-2)33-22(18)24(37)29-12-14-6-5-9-38-14/h5-11,13H,3-4,12H2,1-2H3,(H,29,37)(H,31,36).
What are the key properties of N-[1-ethyl-3-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[1-ethyl-3-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 557.56 g/mol, XLogP of 5.03, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-ethyl-3-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]-5-(5-ethylthiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19400372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).