5-(furan-2-yl)-N-(4-methoxy-2-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C20H15F3N4O3 — CID 1165005

IUPAC5-(furan-2-yl)-N-(4-methoxy-2-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)c(C)c1
InChIInChI=1S/C20H15F3N4O3/c1-11-8-12(29-2)5-6-13(11)25-19(28)15-10-18-24-14(16-4-3-7-30-16)9-17(20(21,22)23)27(18)26-15/h3-10H,1-2H3,(H,25,28)
InChIKeyUEUGPEOGWZIJEI-UHFFFAOYSA-N
MW416.36 g/mol
LogP4.58
Rot. Bonds4

About 5-(furan-2-yl)-N-(4-methoxy-2-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

5-(furan-2-yl)-N-(4-methoxy-2-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1165005) has the molecular formula C20H15F3N4O3 and a molecular weight of 416.36 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-(4-methoxy-2-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-(4-methoxy-2-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1165005
Molecular FormulaC20H15F3N4O3
Molecular Weight416.36 g/mol
Exact Mass416.11
IUPAC Name5-(furan-2-yl)-N-(4-methoxy-2-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)c(C)c1
InChIInChI=1S/C20H15F3N4O3/c1-11-8-12(29-2)5-6-13(11)25-19(28)15-10-18-24-14(16-4-3-7-30-16)9-17(20(21,22)23)27(18)26-15/h3-10H,1-2H3,(H,25,28)
InChIKeyUEUGPEOGWZIJEI-UHFFFAOYSA-N
XLogP4.58
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.36
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(difluoromethoxy)-2-methylphenyl]-5-(4-fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19453446
7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1205274
N-(2,5-dimethoxyphenyl)-5-(furan-2-yl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 46368172
N-butan-2-yl-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3148167
N-(2-chloro-3-pyridinyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1110998
2,5-bis(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2823330
N-(3-hydroxyphenyl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1100810
N-[2-(difluoromethoxy)-5-methylphenyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4773219
7-[chloro(difluoro)methyl]-N-(3-chloro-4-pyrrol-1-ylphenyl)-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1045168
5-(4-methylphenyl)-7-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1038221
[5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-[(2R,6S)-2,4,6-trimethylpiperidin-1-yl]methanone
CID 1164970
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 98174779

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-(4-methoxy-2-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-(4-methoxy-2-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1165005) is 5-(furan-2-yl)-N-(4-methoxy-2-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-(4-methoxy-2-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-(4-methoxy-2-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is COc1ccc(NC(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)c(C)c1.
What is the InChIKey of 5-(furan-2-yl)-N-(4-methoxy-2-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is UEUGPEOGWZIJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O3/c1-11-8-12(29-2)5-6-13(11)25-19(28)15-10-18-24-14(16-4-3-7-30-16)9-17(20(21,22)23)27(18)26-15/h3-10H,1-2H3,(H,25,28).
What are the key properties of 5-(furan-2-yl)-N-(4-methoxy-2-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-(furan-2-yl)-N-(4-methoxy-2-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 416.36 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-(4-methoxy-2-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1165005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).