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

C23H15F3N4O5 — CID 6615948

IUPAC5-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1cc2nc(-c3ccc4c(c3)OCO4)cc(C(F)(F)F)n2n1
InChIInChI=1S/C23H15F3N4O5/c24-23(25,26)20-7-14(13-2-4-17-19(6-13)35-11-33-17)28-21-8-15(29-30(20)21)22(31)27-9-12-1-3-16-18(5-12)34-10-32-16/h1-8H,9-11H2,(H,27,31)
InChIKeyDIIKDKIHIWTSMP-UHFFFAOYSA-N
MW484.39 g/mol
LogP3.80
Rot. Bonds4

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

5-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 6615948) has the molecular formula C23H15F3N4O5 and a molecular weight of 484.39 g/mol. Its IUPAC name is 5-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID6615948
Molecular FormulaC23H15F3N4O5
Molecular Weight484.39 g/mol
Exact Mass484.10
IUPAC Name5-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1cc2nc(-c3ccc4c(c3)OCO4)cc(C(F)(F)F)n2n1
InChIInChI=1S/C23H15F3N4O5/c24-23(25,26)20-7-14(13-2-4-17-19(6-13)35-11-33-17)28-21-8-15(29-30(20)21)22(31)27-9-12-1-3-16-18(5-12)34-10-32-16/h1-8H,9-11H2,(H,27,31)
InChIKeyDIIKDKIHIWTSMP-UHFFFAOYSA-N
XLogP3.80
TPSA96.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 6615948) is 5-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NCc1ccc2c(c1)OCO2)c1cc2nc(-c3ccc4c(c3)OCO4)cc(C(F)(F)F)n2n1.
What is the InChIKey of 5-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is DIIKDKIHIWTSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3N4O5/c24-23(25,26)20-7-14(13-2-4-17-19(6-13)35-11-33-17)28-21-8-15(29-30(20)21)22(31)27-9-12-1-3-16-18(5-12)34-10-32-16/h1-8H,9-11H2,(H,27,31).
What are the key properties of 5-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 484.39 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 6615948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).