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

C20H15F3N4O2 — CID 1113907

IUPACN-(furan-2-ylmethyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCc4ccco4)c3n2)cc1
InChIInChI=1S/C20H15F3N4O2/c1-12-4-6-13(7-5-12)16-9-17(20(21,22)23)27-18(26-16)15(11-25-27)19(28)24-10-14-3-2-8-29-14/h2-9,11H,10H2,1H3,(H,24,28)
InChIKeyWHKDAHKIRZSSCE-UHFFFAOYSA-N
MW400.36 g/mol
LogP4.25
Rot. Bonds4

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

N-(furan-2-ylmethyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 1113907) has the molecular formula C20H15F3N4O2 and a molecular weight of 400.36 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID1113907
Molecular FormulaC20H15F3N4O2
Molecular Weight400.36 g/mol
Exact Mass400.11
IUPAC NameN-(furan-2-ylmethyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCc4ccco4)c3n2)cc1
InChIInChI=1S/C20H15F3N4O2/c1-12-4-6-13(7-5-12)16-9-17(20(21,22)23)27-18(26-16)15(11-25-27)19(28)24-10-14-3-2-8-29-14/h2-9,11H,10H2,1H3,(H,24,28)
InChIKeyWHKDAHKIRZSSCE-UHFFFAOYSA-N
XLogP4.25
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 1113907) is N-(furan-2-ylmethyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCc4ccco4)c3n2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is WHKDAHKIRZSSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O2/c1-12-4-6-13(7-5-12)16-9-17(20(21,22)23)27-18(26-16)15(11-25-27)19(28)24-10-14-3-2-8-29-14/h2-9,11H,10H2,1H3,(H,24,28).
What are the key properties of N-(furan-2-ylmethyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(furan-2-ylmethyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 400.36 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 1113907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).