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

C19H11Cl2F3N4O2 — CID 1111318

IUPAC5-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1ccco1)c1cc2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C19H11Cl2F3N4O2/c20-12-4-3-10(6-13(12)21)14-7-16(19(22,23)24)28-17(26-14)8-15(27-28)18(29)25-9-11-2-1-5-30-11/h1-8H,9H2,(H,25,29)
InChIKeyHNQRTFORDFYHIW-UHFFFAOYSA-N
MW455.22 g/mol
LogP5.24
Rot. Bonds4

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

5-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1111318) has the molecular formula C19H11Cl2F3N4O2 and a molecular weight of 455.22 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1111318
Molecular FormulaC19H11Cl2F3N4O2
Molecular Weight455.22 g/mol
Exact Mass454.02
IUPAC Name5-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCc1ccco1)c1cc2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C19H11Cl2F3N4O2/c20-12-4-3-10(6-13(12)21)14-7-16(19(22,23)24)28-17(26-14)8-15(27-28)18(29)25-9-11-2-1-5-30-11/h1-8H,9H2,(H,25,29)
InChIKeyHNQRTFORDFYHIW-UHFFFAOYSA-N
XLogP5.24
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.22
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(3,4-dichlorophenyl)-N-(furan-2-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-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1111318) is 5-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NCc1ccco1)c1cc2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)(F)F)n2n1.
What is the InChIKey of 5-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is HNQRTFORDFYHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2F3N4O2/c20-12-4-3-10(6-13(12)21)14-7-16(19(22,23)24)28-17(26-14)8-15(27-28)18(29)25-9-11-2-1-5-30-11/h1-8H,9H2,(H,25,29).
What are the key properties of 5-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 455.22 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-N-(furan-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1111318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).