1-[4-(difluoromethoxy)phenyl]-N-(4-pyrrolidin-3-ylphenyl)triazole-4-carboxamide

C20H19F2N5O2 — CID 73426214

IUPAC1-[4-(difluoromethoxy)phenyl]-N-(4-pyrrolidin-3-ylphenyl)triazole-4-carboxamide
SMILESO=C(Nc1ccc(C2CCNC2)cc1)c1cn(-c2ccc(OC(F)F)cc2)nn1
InChIInChI=1S/C20H19F2N5O2/c21-20(22)29-17-7-5-16(6-8-17)27-12-18(25-26-27)19(28)24-15-3-1-13(2-4-15)14-9-10-23-11-14/h1-8,12,14,20,23H,9-11H2,(H,24,28)
InChIKeyASSNHRVAIIIIMI-UHFFFAOYSA-N
MW399.40 g/mol
LogP3.20
Rot. Bonds6

About 1-[4-(difluoromethoxy)phenyl]-N-(4-pyrrolidin-3-ylphenyl)triazole-4-carboxamide

1-[4-(difluoromethoxy)phenyl]-N-(4-pyrrolidin-3-ylphenyl)triazole-4-carboxamide (PubChem CID 73426214) has the molecular formula C20H19F2N5O2 and a molecular weight of 399.40 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-N-(4-pyrrolidin-3-ylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-N-(4-pyrrolidin-3-ylphenyl)triazole-4-carboxamide
PubChem CID73426214
Molecular FormulaC20H19F2N5O2
Molecular Weight399.40 g/mol
Exact Mass399.15
IUPAC Name1-[4-(difluoromethoxy)phenyl]-N-(4-pyrrolidin-3-ylphenyl)triazole-4-carboxamide
SMILESO=C(Nc1ccc(C2CCNC2)cc1)c1cn(-c2ccc(OC(F)F)cc2)nn1
InChIInChI=1S/C20H19F2N5O2/c21-20(22)29-17-7-5-16(6-8-17)27-12-18(25-26-27)19(28)24-15-3-1-13(2-4-15)14-9-10-23-11-14/h1-8,12,14,20,23H,9-11H2,(H,24,28)
InChIKeyASSNHRVAIIIIMI-UHFFFAOYSA-N
XLogP3.20
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-(difluoromethoxy)phenyl]-N-(4-pyrrolidin-3-ylphenyl)triazole-4-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 1-[4-(difluoromethoxy)phenyl]-N-(4-pyrrolidin-3-ylphenyl)triazole-4-carboxamide?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-N-(4-pyrrolidin-3-ylphenyl)triazole-4-carboxamide (CID 73426214) is 1-[4-(difluoromethoxy)phenyl]-N-(4-pyrrolidin-3-ylphenyl)triazole-4-carboxamide.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-N-(4-pyrrolidin-3-ylphenyl)triazole-4-carboxamide?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-N-(4-pyrrolidin-3-ylphenyl)triazole-4-carboxamide is O=C(Nc1ccc(C2CCNC2)cc1)c1cn(-c2ccc(OC(F)F)cc2)nn1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-N-(4-pyrrolidin-3-ylphenyl)triazole-4-carboxamide?
The InChIKey is ASSNHRVAIIIIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O2/c21-20(22)29-17-7-5-16(6-8-17)27-12-18(25-26-27)19(28)24-15-3-1-13(2-4-15)14-9-10-23-11-14/h1-8,12,14,20,23H,9-11H2,(H,24,28).
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-N-(4-pyrrolidin-3-ylphenyl)triazole-4-carboxamide?
1-[4-(difluoromethoxy)phenyl]-N-(4-pyrrolidin-3-ylphenyl)triazole-4-carboxamide has a molecular weight of 399.40 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-N-(4-pyrrolidin-3-ylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 73426214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).