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

C17H17F3N4O2 — CID 3242814

IUPAC5-(furan-2-yl)-N-(3-methylbutyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)CCNC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12
InChIInChI=1S/C17H17F3N4O2/c1-10(2)5-6-21-16(25)11-9-22-24-14(17(18,19)20)8-12(23-15(11)24)13-4-3-7-26-13/h3-4,7-10H,5-6H2,1-2H3,(H,21,25)
InChIKeyRHVDCYQUWOZPSG-UHFFFAOYSA-N
MW366.34 g/mol
LogP3.78
Rot. Bonds5

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

5-(furan-2-yl)-N-(3-methylbutyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 3242814) has the molecular formula C17H17F3N4O2 and a molecular weight of 366.34 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-(3-methylbutyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-(3-methylbutyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID3242814
Molecular FormulaC17H17F3N4O2
Molecular Weight366.34 g/mol
Exact Mass366.13
IUPAC Name5-(furan-2-yl)-N-(3-methylbutyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)CCNC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12
InChIInChI=1S/C17H17F3N4O2/c1-10(2)5-6-21-16(25)11-9-22-24-14(17(18,19)20)8-12(23-15(11)24)13-4-3-7-26-13/h3-4,7-10H,5-6H2,1-2H3,(H,21,25)
InChIKeyRHVDCYQUWOZPSG-UHFFFAOYSA-N
XLogP3.78
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-(3-methylbutyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-(3-methylbutyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 3242814) is 5-(furan-2-yl)-N-(3-methylbutyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-(3-methylbutyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-(3-methylbutyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)CCNC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12.
What is the InChIKey of 5-(furan-2-yl)-N-(3-methylbutyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is RHVDCYQUWOZPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O2/c1-10(2)5-6-21-16(25)11-9-22-24-14(17(18,19)20)8-12(23-15(11)24)13-4-3-7-26-13/h3-4,7-10H,5-6H2,1-2H3,(H,21,25).
What are the key properties of 5-(furan-2-yl)-N-(3-methylbutyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-(furan-2-yl)-N-(3-methylbutyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 366.34 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-(3-methylbutyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 3242814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).