2-phenyl-N-(4-pyrrolidin-3-ylphenyl)triazole-4-carboxamide

C19H19N5O — CID 73426002

IUPAC2-phenyl-N-(4-pyrrolidin-3-ylphenyl)triazole-4-carboxamide
SMILESO=C(Nc1ccc(C2CCNC2)cc1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C19H19N5O/c25-19(18-13-21-24(23-18)17-4-2-1-3-5-17)22-16-8-6-14(7-9-16)15-10-11-20-12-15/h1-9,13,15,20H,10-12H2,(H,22,25)
InChIKeyNRQCIICFIGFTLD-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.60
Rot. Bonds4

About 2-phenyl-N-(4-pyrrolidin-3-ylphenyl)triazole-4-carboxamide

2-phenyl-N-(4-pyrrolidin-3-ylphenyl)triazole-4-carboxamide (PubChem CID 73426002) has the molecular formula C19H19N5O and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-phenyl-N-(4-pyrrolidin-3-ylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-(4-pyrrolidin-3-ylphenyl)triazole-4-carboxamide
PubChem CID73426002
Molecular FormulaC19H19N5O
Molecular Weight333.39 g/mol
Exact Mass333.16
IUPAC Name2-phenyl-N-(4-pyrrolidin-3-ylphenyl)triazole-4-carboxamide
SMILESO=C(Nc1ccc(C2CCNC2)cc1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C19H19N5O/c25-19(18-13-21-24(23-18)17-4-2-1-3-5-17)22-16-8-6-14(7-9-16)15-10-11-20-12-15/h1-9,13,15,20H,10-12H2,(H,22,25)
InChIKeyNRQCIICFIGFTLD-UHFFFAOYSA-N
XLogP2.60
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(4-pyrrolidin-3-ylphenyl)triazole-4-carboxamide?
The IUPAC name of 2-phenyl-N-(4-pyrrolidin-3-ylphenyl)triazole-4-carboxamide (CID 73426002) is 2-phenyl-N-(4-pyrrolidin-3-ylphenyl)triazole-4-carboxamide.
What is the SMILES notation for 2-phenyl-N-(4-pyrrolidin-3-ylphenyl)triazole-4-carboxamide?
The canonical SMILES for 2-phenyl-N-(4-pyrrolidin-3-ylphenyl)triazole-4-carboxamide is O=C(Nc1ccc(C2CCNC2)cc1)c1cnn(-c2ccccc2)n1.
What is the InChIKey of 2-phenyl-N-(4-pyrrolidin-3-ylphenyl)triazole-4-carboxamide?
The InChIKey is NRQCIICFIGFTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c25-19(18-13-21-24(23-18)17-4-2-1-3-5-17)22-16-8-6-14(7-9-16)15-10-11-20-12-15/h1-9,13,15,20H,10-12H2,(H,22,25).
What are the key properties of 2-phenyl-N-(4-pyrrolidin-3-ylphenyl)triazole-4-carboxamide?
2-phenyl-N-(4-pyrrolidin-3-ylphenyl)triazole-4-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(4-pyrrolidin-3-ylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 73426002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).