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

C17H23N5O — CID 119531389

IUPAC1-(3-methylphenyl)-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide
SMILESCCCN(C(=O)c1cn(-c2cccc(C)c2)nn1)C1CCNC1
InChIInChI=1S/C17H23N5O/c1-3-9-21(15-7-8-18-11-15)17(23)16-12-22(20-19-16)14-6-4-5-13(2)10-14/h4-6,10,12,15,18H,3,7-9,11H2,1-2H3
InChIKeyUCINFLHJBHXDJM-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.79
Rot. Bonds5

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

1-(3-methylphenyl)-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide (PubChem CID 119531389) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide
PubChem CID119531389
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name1-(3-methylphenyl)-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide
SMILESCCCN(C(=O)c1cn(-c2cccc(C)c2)nn1)C1CCNC1
InChIInChI=1S/C17H23N5O/c1-3-9-21(15-7-8-18-11-15)17(23)16-12-22(20-19-16)14-6-4-5-13(2)10-14/h4-6,10,12,15,18H,3,7-9,11H2,1-2H3
InChIKeyUCINFLHJBHXDJM-UHFFFAOYSA-N
XLogP1.79
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylphenyl)-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride
CID 119530408
1-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide
CID 119532202
methyl 2-[cyclopentyl-[1-(3-methylphenyl)triazole-4-carbonyl]amino]acetate
CID 122144863
1-[(3-fluorophenyl)methyl]-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride
CID 119531085
3-[4-(3-methylphenyl)piperazin-1-yl]-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119532179
2-[[1-(3-methylphenyl)triazole-4-carbonyl]-propylamino]acetic acid
CID 119204799
2-(3-methylphenyl)-N-propyl-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 94420232
2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 60805843
1-(3-methylphenyl)-N-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119387980
1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119533174
ethyl 2-[methyl-[1-(3-methylphenyl)triazole-4-carbonyl]amino]benzoate
CID 98708325
5-methyl-1-(3-nitrophenyl)-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide
CID 119532069

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide?
The IUPAC name of 1-(3-methylphenyl)-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide (CID 119531389) is 1-(3-methylphenyl)-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide.
What is the SMILES notation for 1-(3-methylphenyl)-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide?
The canonical SMILES for 1-(3-methylphenyl)-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide is CCCN(C(=O)c1cn(-c2cccc(C)c2)nn1)C1CCNC1.
What is the InChIKey of 1-(3-methylphenyl)-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide?
The InChIKey is UCINFLHJBHXDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-3-9-21(15-7-8-18-11-15)17(23)16-12-22(20-19-16)14-6-4-5-13(2)10-14/h4-6,10,12,15,18H,3,7-9,11H2,1-2H3.
What are the key properties of 1-(3-methylphenyl)-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide?
1-(3-methylphenyl)-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide is sourced from PubChem (CID 119531389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).