2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)triazole-4-carboxamide;hydrochloride

C15H19ClFN5O — CID 119535740

IUPAC2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)triazole-4-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCNC1)c1cnn(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H18FN5O.ClH/c16-12-1-3-13(4-2-12)21-19-10-14(20-21)15(22)18-8-6-11-5-7-17-9-11;/h1-4,10-11,17H,5-9H2,(H,18,22);1H
InChIKeyZVQIJEBZUYUBSY-UHFFFAOYSA-N
MW339.80 g/mol
LogP1.56
Rot. Bonds5

About 2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)triazole-4-carboxamide;hydrochloride

2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)triazole-4-carboxamide;hydrochloride (PubChem CID 119535740) has the molecular formula C15H19ClFN5O and a molecular weight of 339.80 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)triazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)triazole-4-carboxamide;hydrochloride
PubChem CID119535740
Molecular FormulaC15H19ClFN5O
Molecular Weight339.80 g/mol
Exact Mass339.13
IUPAC Name2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)triazole-4-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCNC1)c1cnn(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H18FN5O.ClH/c16-12-1-3-13(4-2-12)21-19-10-14(20-21)15(22)18-8-6-11-5-7-17-9-11;/h1-4,10-11,17H,5-9H2,(H,18,22);1H
InChIKeyZVQIJEBZUYUBSY-UHFFFAOYSA-N
XLogP1.56
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-N-(2-piperidin-3-ylethyl)triazole-4-carboxamide;hydrochloride
CID 119558694
2-(4-fluorophenyl)-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide
CID 119447017
4-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628906
2-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)triazole-4-carboxamide;hydrochloride
CID 119512213
2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119260587
1-(4-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)pyrazole-3-carboxamide;hydrochloride
CID 119537008
2,5-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534638
2,4-difluoro-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536472
4-pyrazol-1-yl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534837
N-(2-pyrrolidin-3-ylethyl)-1,2,5-thiadiazole-3-carboxamide
CID 63630234
2-fluoro-5-(2-oxoimidazolidin-1-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537575
3-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628909

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)triazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)triazole-4-carboxamide;hydrochloride (CID 119535740) is 2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)triazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)triazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)triazole-4-carboxamide;hydrochloride is Cl.O=C(NCCC1CCNC1)c1cnn(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)triazole-4-carboxamide;hydrochloride?
The InChIKey is ZVQIJEBZUYUBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O.ClH/c16-12-1-3-13(4-2-12)21-19-10-14(20-21)15(22)18-8-6-11-5-7-17-9-11;/h1-4,10-11,17H,5-9H2,(H,18,22);1H.
What are the key properties of 2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)triazole-4-carboxamide;hydrochloride?
2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)triazole-4-carboxamide;hydrochloride has a molecular weight of 339.80 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(2-pyrrolidin-3-ylethyl)triazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119535740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).