1-(2-chlorophenyl)-5-ethyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,4-triazole-3-carboxamide

C16H20ClN5O2 — CID 120948347

IUPAC1-(2-chlorophenyl)-5-ethyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)NCC2CNCC2O)nn1-c1ccccc1Cl
InChIInChI=1S/C16H20ClN5O2/c1-2-14-20-15(16(24)19-8-10-7-18-9-13(10)23)21-22(14)12-6-4-3-5-11(12)17/h3-6,10,13,18,23H,2,7-9H2,1H3,(H,19,24)
InChIKeyKZFZLOJXFBEGOG-UHFFFAOYSA-N
MW349.82 g/mol
LogP0.79
Rot. Bonds5

About 1-(2-chlorophenyl)-5-ethyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,4-triazole-3-carboxamide

1-(2-chlorophenyl)-5-ethyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,4-triazole-3-carboxamide (PubChem CID 120948347) has the molecular formula C16H20ClN5O2 and a molecular weight of 349.82 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-ethyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-ethyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,4-triazole-3-carboxamide
PubChem CID120948347
Molecular FormulaC16H20ClN5O2
Molecular Weight349.82 g/mol
Exact Mass349.13
IUPAC Name1-(2-chlorophenyl)-5-ethyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)NCC2CNCC2O)nn1-c1ccccc1Cl
InChIInChI=1S/C16H20ClN5O2/c1-2-14-20-15(16(24)19-8-10-7-18-9-13(10)23)21-22(14)12-6-4-3-5-11(12)17/h3-6,10,13,18,23H,2,7-9H2,1H3,(H,19,24)
InChIKeyKZFZLOJXFBEGOG-UHFFFAOYSA-N
XLogP0.79
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-(2-chlorophenyl)-5-ethyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,4-triazole-3-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-(2-chlorophenyl)-5-ethyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-5-ethyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,4-triazole-3-carboxamide (CID 120948347) is 1-(2-chlorophenyl)-5-ethyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-5-ethyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-5-ethyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,4-triazole-3-carboxamide is CCc1nc(C(=O)NCC2CNCC2O)nn1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-5-ethyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,4-triazole-3-carboxamide?
The InChIKey is KZFZLOJXFBEGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O2/c1-2-14-20-15(16(24)19-8-10-7-18-9-13(10)23)21-22(14)12-6-4-3-5-11(12)17/h3-6,10,13,18,23H,2,7-9H2,1H3,(H,19,24).
What are the key properties of 1-(2-chlorophenyl)-5-ethyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,4-triazole-3-carboxamide?
1-(2-chlorophenyl)-5-ethyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,4-triazole-3-carboxamide has a molecular weight of 349.82 g/mol, XLogP of 0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-ethyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 120948347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).