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

C18H15F3N6O2 — CID 1165093

IUPAC5-(furan-2-yl)-7-(trifluoromethyl)-N-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1nn(C)c(C)c1NC(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C18H15F3N6O2/c1-9-16(10(2)26(3)24-9)23-17(28)12-8-15-22-11(13-5-4-6-29-13)7-14(18(19,20)21)27(15)25-12/h4-8H,1-3H3,(H,23,28)
InChIKeyJVUZXOHKBRAKFS-UHFFFAOYSA-N
MW404.35 g/mol
LogP3.61
Rot. Bonds3

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

5-(furan-2-yl)-7-(trifluoromethyl)-N-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1165093) has the molecular formula C18H15F3N6O2 and a molecular weight of 404.35 g/mol. Its IUPAC name is 5-(furan-2-yl)-7-(trifluoromethyl)-N-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-7-(trifluoromethyl)-N-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1165093
Molecular FormulaC18H15F3N6O2
Molecular Weight404.35 g/mol
Exact Mass404.12
IUPAC Name5-(furan-2-yl)-7-(trifluoromethyl)-N-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1nn(C)c(C)c1NC(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C18H15F3N6O2/c1-9-16(10(2)26(3)24-9)23-17(28)12-8-15-22-11(13-5-4-6-29-13)7-14(18(19,20)21)27(15)25-12/h4-8H,1-3H3,(H,23,28)
InChIKeyJVUZXOHKBRAKFS-UHFFFAOYSA-N
XLogP3.61
TPSA90.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-7-(trifluoromethyl)-N-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-(furan-2-yl)-7-(trifluoromethyl)-N-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1165093) is 5-(furan-2-yl)-7-(trifluoromethyl)-N-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-7-(trifluoromethyl)-N-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-7-(trifluoromethyl)-N-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1nn(C)c(C)c1NC(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1.
What is the InChIKey of 5-(furan-2-yl)-7-(trifluoromethyl)-N-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is JVUZXOHKBRAKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N6O2/c1-9-16(10(2)26(3)24-9)23-17(28)12-8-15-22-11(13-5-4-6-29-13)7-14(18(19,20)21)27(15)25-12/h4-8H,1-3H3,(H,23,28).
What are the key properties of 5-(furan-2-yl)-7-(trifluoromethyl)-N-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-(furan-2-yl)-7-(trifluoromethyl)-N-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 404.35 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-7-(trifluoromethyl)-N-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1165093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).