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

C20H15F3N4O3 — CID 1361272

IUPAC5-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccco4)nc23)cc1
InChIInChI=1S/C20H15F3N4O3/c1-29-13-6-4-12(5-7-13)10-24-19(28)14-11-25-27-17(20(21,22)23)9-15(26-18(14)27)16-3-2-8-30-16/h2-9,11H,10H2,1H3,(H,24,28)
InChIKeyHDLPDDBKOWQZDG-UHFFFAOYSA-N
MW416.36 g/mol
LogP3.95
Rot. Bonds5

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

5-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 1361272) has the molecular formula C20H15F3N4O3 and a molecular weight of 416.36 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID1361272
Molecular FormulaC20H15F3N4O3
Molecular Weight416.36 g/mol
Exact Mass416.11
IUPAC Name5-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccco4)nc23)cc1
InChIInChI=1S/C20H15F3N4O3/c1-29-13-6-4-12(5-7-13)10-24-19(28)14-11-25-27-17(20(21,22)23)9-15(26-18(14)27)16-3-2-8-30-16/h2-9,11H,10H2,1H3,(H,24,28)
InChIKeyHDLPDDBKOWQZDG-UHFFFAOYSA-N
XLogP3.95
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.36
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 1361272) is 5-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(CNC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccco4)nc23)cc1.
What is the InChIKey of 5-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HDLPDDBKOWQZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O3/c1-29-13-6-4-12(5-7-13)10-24-19(28)14-11-25-27-17(20(21,22)23)9-15(26-18(14)27)16-3-2-8-30-16/h2-9,11H,10H2,1H3,(H,24,28).
What are the key properties of 5-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-(furan-2-yl)-N-[(4-methoxyphenyl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 416.36 g/mol, XLogP of 3.95, 5 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-methoxyphenyl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 1361272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).