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

C14H17ClFN5O — CID 119512213

IUPAC2-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)triazole-4-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCCN1)c1cnn(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H16FN5O.ClH/c15-10-3-5-12(6-4-10)20-18-9-13(19-20)14(21)17-8-11-2-1-7-16-11;/h3-6,9,11,16H,1-2,7-8H2,(H,17,21);1H
InChIKeyXLNQGLZZTMSTAE-UHFFFAOYSA-N
MW325.78 g/mol
LogP1.31
Rot. Bonds4

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

2-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)triazole-4-carboxamide;hydrochloride (PubChem CID 119512213) has the molecular formula C14H17ClFN5O and a molecular weight of 325.78 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)triazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)triazole-4-carboxamide;hydrochloride
PubChem CID119512213
Molecular FormulaC14H17ClFN5O
Molecular Weight325.78 g/mol
Exact Mass325.11
IUPAC Name2-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)triazole-4-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCCN1)c1cnn(-c2ccc(F)cc2)n1
InChIInChI=1S/C14H16FN5O.ClH/c15-10-3-5-12(6-4-10)20-18-9-13(19-20)14(21)17-8-11-2-1-7-16-11;/h3-6,9,11,16H,1-2,7-8H2,(H,17,21);1H
InChIKeyXLNQGLZZTMSTAE-UHFFFAOYSA-N
XLogP1.31
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.78
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide;hydrochloride
CID 120576916
5-ethyl-1-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119511358
N-(morpholin-3-ylmethyl)-2-phenyltriazole-4-carboxamide
CID 103548715
2-(4-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]triazole-4-carboxamide
CID 111485653
[2-(4-fluorophenyl)triazol-4-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119650333
2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 62542167
5-fluoro-2-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513769
1-(4-bromophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119513926
2-phenyl-N-(2-piperidin-3-ylethyl)triazole-4-carboxamide;hydrochloride
CID 119558694
N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-3-carboxamide
CID 83619395
4-imidazol-1-yl-N-(pyrrolidin-2-ylmethyl)benzamide;dihydrochloride
CID 119512079
2-(4-fluorophenyl)-N-methylsulfonyltriazole-4-carboxamide
CID 146154734

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)triazole-4-carboxamide;hydrochloride?
The IUPAC name of 2-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)triazole-4-carboxamide;hydrochloride (CID 119512213) is 2-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)triazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)triazole-4-carboxamide;hydrochloride?
The canonical SMILES for 2-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)triazole-4-carboxamide;hydrochloride is Cl.O=C(NCC1CCCN1)c1cnn(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)triazole-4-carboxamide;hydrochloride?
The InChIKey is XLNQGLZZTMSTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5O.ClH/c15-10-3-5-12(6-4-10)20-18-9-13(19-20)14(21)17-8-11-2-1-7-16-11;/h3-6,9,11,16H,1-2,7-8H2,(H,17,21);1H.
What are the key properties of 2-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)triazole-4-carboxamide;hydrochloride?
2-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)triazole-4-carboxamide;hydrochloride has a molecular weight of 325.78 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)triazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119512213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).