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

C16H21ClFN5O2 — CID 120947490

IUPAC5-ethyl-1-(2-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,4-triazole-3-carboxamide;hydrochloride
SMILESCCc1nc(C(=O)NCC2CNCC2O)nn1-c1ccccc1F.Cl
InChIInChI=1S/C16H20FN5O2.ClH/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);1H
InChIKeyWQGABJICKQJVHM-UHFFFAOYSA-N
MW369.83 g/mol
LogP0.70
Rot. Bonds5

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

5-ethyl-1-(2-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,4-triazole-3-carboxamide;hydrochloride (PubChem CID 120947490) has the molecular formula C16H21ClFN5O2 and a molecular weight of 369.83 g/mol. Its IUPAC name is 5-ethyl-1-(2-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,4-triazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-ethyl-1-(2-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,4-triazole-3-carboxamide;hydrochloride
PubChem CID120947490
Molecular FormulaC16H21ClFN5O2
Molecular Weight369.83 g/mol
Exact Mass369.14
IUPAC Name5-ethyl-1-(2-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,4-triazole-3-carboxamide;hydrochloride
SMILESCCc1nc(C(=O)NCC2CNCC2O)nn1-c1ccccc1F.Cl
InChIInChI=1S/C16H20FN5O2.ClH/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);1H
InChIKeyWQGABJICKQJVHM-UHFFFAOYSA-N
XLogP0.70
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-ethyl-1-(2-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,4-triazole-3-carboxamide;hydrochloride with MolForge

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Related Compounds

1-(2-chlorophenyl)-5-ethyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,4-triazole-3-carboxamide
CID 120948347
5-ethyl-1-(2-fluorophenyl)-N-(4-methyl-2-oxopiperidin-3-yl)-1,2,4-triazole-3-carboxamide
CID 154833274
2-[[5-ethyl-1-(2-fluorophenyl)-1,2,4-triazole-3-carbonyl]amino]propanoic acid
CID 119348935
1-(2-fluorophenyl)-N-(3-hydroxybutyl)-5-propyl-1,2,4-triazole-3-carboxamide
CID 111462985
[5-ethyl-1-(2-fluorophenyl)-1,2,4-triazol-3-yl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120879135
2-[(2-fluorobenzoyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methylbenzamide;hydrochloride
CID 120945848
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylquinoline-4-carboxamide;dihydrochloride
CID 120944201
5-ethyl-1-(4-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazole-4-carboxamide;hydrochloride
CID 120947390
5-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylbenzamide;hydrochloride
CID 120946846
1-(2-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methylpyrazole-4-carboxamide
CID 120946465
1-(2-chlorophenyl)-5-ethyl-N-(3-hydroxybutyl)-1,2,4-triazole-3-carboxamide
CID 111428960
2-bromo-6-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120944140

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(2-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,4-triazole-3-carboxamide;hydrochloride?
The IUPAC name of 5-ethyl-1-(2-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,4-triazole-3-carboxamide;hydrochloride (CID 120947490) is 5-ethyl-1-(2-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,4-triazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-ethyl-1-(2-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,4-triazole-3-carboxamide;hydrochloride?
The canonical SMILES for 5-ethyl-1-(2-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,4-triazole-3-carboxamide;hydrochloride is CCc1nc(C(=O)NCC2CNCC2O)nn1-c1ccccc1F.Cl.
What is the InChIKey of 5-ethyl-1-(2-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,4-triazole-3-carboxamide;hydrochloride?
The InChIKey is WQGABJICKQJVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O2.ClH/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);1H.
What are the key properties of 5-ethyl-1-(2-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,4-triazole-3-carboxamide;hydrochloride?
5-ethyl-1-(2-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,4-triazole-3-carboxamide;hydrochloride has a molecular weight of 369.83 g/mol, XLogP of 0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(2-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1,2,4-triazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 120947490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).