N-(2-hydroxyphenyl)-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H19F3N4O2 — CID 19456029

IUPACN-(2-hydroxyphenyl)-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)c1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4ccccc4O)c3n2)cc1
InChIInChI=1S/C23H19F3N4O2/c1-13(2)14-7-9-15(10-8-14)18-11-20(23(24,25)26)30-21(28-18)16(12-27-30)22(32)29-17-5-3-4-6-19(17)31/h3-13,31H,1-2H3,(H,29,32)
InChIKeyUMKLHDSDDXPVRE-UHFFFAOYSA-N
MW440.43 g/mol
LogP5.50
Rot. Bonds4

About N-(2-hydroxyphenyl)-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(2-hydroxyphenyl)-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 19456029) has the molecular formula C23H19F3N4O2 and a molecular weight of 440.43 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID19456029
Molecular FormulaC23H19F3N4O2
Molecular Weight440.43 g/mol
Exact Mass440.15
IUPAC NameN-(2-hydroxyphenyl)-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)c1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4ccccc4O)c3n2)cc1
InChIInChI=1S/C23H19F3N4O2/c1-13(2)14-7-9-15(10-8-14)18-11-20(23(24,25)26)30-21(28-18)16(12-27-30)22(32)29-17-5-3-4-6-19(17)31/h3-13,31H,1-2H3,(H,29,32)
InChIKeyUMKLHDSDDXPVRE-UHFFFAOYSA-N
XLogP5.50
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.43
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-hydroxyphenyl)-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 19456029) is N-(2-hydroxyphenyl)-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-hydroxyphenyl)-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)c1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4ccccc4O)c3n2)cc1.
What is the InChIKey of N-(2-hydroxyphenyl)-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UMKLHDSDDXPVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O2/c1-13(2)14-7-9-15(10-8-14)18-11-20(23(24,25)26)30-21(28-18)16(12-27-30)22(32)29-17-5-3-4-6-19(17)31/h3-13,31H,1-2H3,(H,29,32).
What are the key properties of N-(2-hydroxyphenyl)-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(2-hydroxyphenyl)-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 440.43 g/mol, XLogP of 5.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 19456029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).