N-[1-(1-phenyltriazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide

C15H15N5O — CID 71917956

IUPACN-[1-(1-phenyltriazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide
SMILESCC(NC(=O)c1ccc[nH]1)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C15H15N5O/c1-11(17-15(21)13-8-5-9-16-13)14-10-20(19-18-14)12-6-3-2-4-7-12/h2-11,16H,1H3,(H,17,21)
InChIKeyXMNGWSRXRHDFOC-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.09
Rot. Bonds4

About N-[1-(1-phenyltriazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide

N-[1-(1-phenyltriazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 71917956) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is N-[1-(1-phenyltriazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1-phenyltriazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide
PubChem CID71917956
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC NameN-[1-(1-phenyltriazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide
SMILESCC(NC(=O)c1ccc[nH]1)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C15H15N5O/c1-11(17-15(21)13-8-5-9-16-13)14-10-20(19-18-14)12-6-3-2-4-7-12/h2-11,16H,1H3,(H,17,21)
InChIKeyXMNGWSRXRHDFOC-UHFFFAOYSA-N
XLogP2.09
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(1-phenyltriazol-4-yl)ethyl]-1H-pyrrole-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 N-[1-(1-phenyltriazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[1-(1-phenyltriazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide (CID 71917956) is N-[1-(1-phenyltriazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[1-(1-phenyltriazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[1-(1-phenyltriazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide is CC(NC(=O)c1ccc[nH]1)c1cn(-c2ccccc2)nn1.
What is the InChIKey of N-[1-(1-phenyltriazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is XMNGWSRXRHDFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-11(17-15(21)13-8-5-9-16-13)14-10-20(19-18-14)12-6-3-2-4-7-12/h2-11,16H,1H3,(H,17,21).
What are the key properties of N-[1-(1-phenyltriazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide?
N-[1-(1-phenyltriazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-phenyltriazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 71917956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).