1-(4-methylphenyl)-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride

C17H24ClN5O — CID 119530408

IUPAC1-(4-methylphenyl)-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride
SMILESCCCN(C(=O)c1cn(-c2ccc(C)cc2)nn1)C1CCNC1.Cl
InChIInChI=1S/C17H23N5O.ClH/c1-3-10-21(15-8-9-18-11-15)17(23)16-12-22(20-19-16)14-6-4-13(2)5-7-14;/h4-7,12,15,18H,3,8-11H2,1-2H3;1H
InChIKeyRSUILBYZIBQJHI-UHFFFAOYSA-N
MW349.87 g/mol
LogP2.21
Rot. Bonds5

About 1-(4-methylphenyl)-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride

1-(4-methylphenyl)-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119530408) has the molecular formula C17H24ClN5O and a molecular weight of 349.87 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride
PubChem CID119530408
Molecular FormulaC17H24ClN5O
Molecular Weight349.87 g/mol
Exact Mass349.17
IUPAC Name1-(4-methylphenyl)-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride
SMILESCCCN(C(=O)c1cn(-c2ccc(C)cc2)nn1)C1CCNC1.Cl
InChIInChI=1S/C17H23N5O.ClH/c1-3-10-21(15-8-9-18-11-15)17(23)16-12-22(20-19-16)14-6-4-13(2)5-7-14;/h4-7,12,15,18H,3,8-11H2,1-2H3;1H
InChIKeyRSUILBYZIBQJHI-UHFFFAOYSA-N
XLogP2.21
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.87
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-methylphenyl)-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methylphenyl)-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide
CID 119531389
N-propyl-N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 119532441
1-(4-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide
CID 119532334
4-bromo-1-(4-fluorophenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
CID 119532306
4-hydroxy-1-phenyl-N-propyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
CID 119529856
1-[(3-fluorophenyl)methyl]-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride
CID 119531085
2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 60805843
N-piperidin-4-yl-N-propyl-4-pyrazol-1-ylbenzamide;hydrochloride
CID 119824042
5-bromo-N-propyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride
CID 119531290
4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532826
1-(4-chlorophenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide
CID 119825391
1-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide
CID 119532202

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of 1-(4-methylphenyl)-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride (CID 119530408) is 1-(4-methylphenyl)-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(4-methylphenyl)-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(4-methylphenyl)-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride is CCCN(C(=O)c1cn(-c2ccc(C)cc2)nn1)C1CCNC1.Cl.
What is the InChIKey of 1-(4-methylphenyl)-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is RSUILBYZIBQJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O.ClH/c1-3-10-21(15-8-9-18-11-15)17(23)16-12-22(20-19-16)14-6-4-13(2)5-7-14;/h4-7,12,15,18H,3,8-11H2,1-2H3;1H.
What are the key properties of 1-(4-methylphenyl)-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride?
1-(4-methylphenyl)-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 349.87 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119530408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).