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

C19H13F3N4O3 — CID 5343893

IUPAC5-(furan-2-yl)-N-(2-hydroxy-5-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(O)c(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccco4)nc23)c1
InChIInChI=1S/C19H13F3N4O3/c1-10-4-5-14(27)12(7-10)25-18(28)11-9-23-26-16(19(20,21)22)8-13(24-17(11)26)15-3-2-6-29-15/h2-9,27H,1H3,(H,25,28)
InChIKeyNVFYODRXBXYYSN-UHFFFAOYSA-N
MW402.33 g/mol
LogP4.27
Rot. Bonds3

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

5-(furan-2-yl)-N-(2-hydroxy-5-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 5343893) has the molecular formula C19H13F3N4O3 and a molecular weight of 402.33 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-(2-hydroxy-5-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-(2-hydroxy-5-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID5343893
Molecular FormulaC19H13F3N4O3
Molecular Weight402.33 g/mol
Exact Mass402.09
IUPAC Name5-(furan-2-yl)-N-(2-hydroxy-5-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(O)c(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccco4)nc23)c1
InChIInChI=1S/C19H13F3N4O3/c1-10-4-5-14(27)12(7-10)25-18(28)11-9-23-26-16(19(20,21)22)8-13(24-17(11)26)15-3-2-6-29-15/h2-9,27H,1H3,(H,25,28)
InChIKeyNVFYODRXBXYYSN-UHFFFAOYSA-N
XLogP4.27
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.33
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-(2-hydroxy-5-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-(2-hydroxy-5-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 5343893) is 5-(furan-2-yl)-N-(2-hydroxy-5-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-(2-hydroxy-5-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-(2-hydroxy-5-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(O)c(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccco4)nc23)c1.
What is the InChIKey of 5-(furan-2-yl)-N-(2-hydroxy-5-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NVFYODRXBXYYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4O3/c1-10-4-5-14(27)12(7-10)25-18(28)11-9-23-26-16(19(20,21)22)8-13(24-17(11)26)15-3-2-6-29-15/h2-9,27H,1H3,(H,25,28).
What are the key properties of 5-(furan-2-yl)-N-(2-hydroxy-5-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-(furan-2-yl)-N-(2-hydroxy-5-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 402.33 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-(2-hydroxy-5-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 5343893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).