1-[(3-fluorophenyl)methyl]-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride

C17H23ClFN5O — CID 119531085

IUPAC1-[(3-fluorophenyl)methyl]-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride
SMILESCCCN(C(=O)c1cn(Cc2cccc(F)c2)nn1)C1CCNC1.Cl
InChIInChI=1S/C17H22FN5O.ClH/c1-2-8-23(15-6-7-19-10-15)17(24)16-12-22(21-20-16)11-13-4-3-5-14(18)9-13;/h3-5,9,12,15,19H,2,6-8,10-11H2,1H3;1H
InChIKeyYLCCSWQRUQQRAJ-UHFFFAOYSA-N
MW367.86 g/mol
LogP2.10
Rot. Bonds6

About 1-[(3-fluorophenyl)methyl]-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride

1-[(3-fluorophenyl)methyl]-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119531085) has the molecular formula C17H23ClFN5O and a molecular weight of 367.86 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride
PubChem CID119531085
Molecular FormulaC17H23ClFN5O
Molecular Weight367.86 g/mol
Exact Mass367.16
IUPAC Name1-[(3-fluorophenyl)methyl]-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride
SMILESCCCN(C(=O)c1cn(Cc2cccc(F)c2)nn1)C1CCNC1.Cl
InChIInChI=1S/C17H22FN5O.ClH/c1-2-8-23(15-6-7-19-10-15)17(24)16-12-22(21-20-16)11-13-4-3-5-14(18)9-13;/h3-5,9,12,15,19H,2,6-8,10-11H2,1H3;1H
InChIKeyYLCCSWQRUQQRAJ-UHFFFAOYSA-N
XLogP2.10
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-fluorophenyl)-N-[2-oxo-2-[propyl(pyrrolidin-3-yl)amino]ethyl]acetamide;hydrochloride
CID 119531294
1-(3-methylphenyl)-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide
CID 119531389
1-[(3-fluorophenyl)methyl]-N-methyl-N-[(1S,2R)-2-methylsulfanylcyclopentyl]triazole-4-carboxamide
CID 97060940
N-ethyl-1-[(3-fluorophenyl)methyl]-N-(2-hydroxyethyl)triazole-4-carboxamide
CID 109468181
1-(4-methylphenyl)-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride
CID 119530408
1-[(3-fluorophenyl)methyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]triazole-4-carboxamide;hydrochloride
CID 120944677
1-benzyl-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride
CID 91645692
3-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119533031
1-benzyl-6-oxo-N-propyl-N-pyrrolidin-3-ylpyridazine-3-carboxamide
CID 119532868
1-[(3-fluorophenyl)methyl]-N-(2-methylpiperidin-4-yl)triazole-4-carboxamide;hydrochloride
CID 120601585
1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119533174
2-[4-[cyclopentyl-[(3-fluorophenyl)methyl]carbamoyl]triazol-1-yl]acetic acid
CID 146138168

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride (CID 119531085) is 1-[(3-fluorophenyl)methyl]-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride is CCCN(C(=O)c1cn(Cc2cccc(F)c2)nn1)C1CCNC1.Cl.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is YLCCSWQRUQQRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O.ClH/c1-2-8-23(15-6-7-19-10-15)17(24)16-12-22(21-20-16)11-13-4-3-5-14(18)9-13;/h3-5,9,12,15,19H,2,6-8,10-11H2,1H3;1H.
What are the key properties of 1-[(3-fluorophenyl)methyl]-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride?
1-[(3-fluorophenyl)methyl]-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 367.86 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119531085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).