N,5-dimethyl-1-(3-nitrophenyl)-N-pyrrolidin-3-yltriazole-4-carboxamide

C15H18N6O3 — CID 119553182

IUPACN,5-dimethyl-1-(3-nitrophenyl)-N-pyrrolidin-3-yltriazole-4-carboxamide
SMILESCc1c(C(=O)N(C)C2CCNC2)nnn1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H18N6O3/c1-10-14(15(22)19(2)13-6-7-16-9-13)17-18-20(10)11-4-3-5-12(8-11)21(23)24/h3-5,8,13,16H,6-7,9H2,1-2H3
InChIKeyHHIUDMWTYCTMRP-UHFFFAOYSA-N
MW330.35 g/mol
LogP0.92
Rot. Bonds4

About N,5-dimethyl-1-(3-nitrophenyl)-N-pyrrolidin-3-yltriazole-4-carboxamide

N,5-dimethyl-1-(3-nitrophenyl)-N-pyrrolidin-3-yltriazole-4-carboxamide (PubChem CID 119553182) has the molecular formula C15H18N6O3 and a molecular weight of 330.35 g/mol. Its IUPAC name is N,5-dimethyl-1-(3-nitrophenyl)-N-pyrrolidin-3-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-1-(3-nitrophenyl)-N-pyrrolidin-3-yltriazole-4-carboxamide
PubChem CID119553182
Molecular FormulaC15H18N6O3
Molecular Weight330.35 g/mol
Exact Mass330.14
IUPAC NameN,5-dimethyl-1-(3-nitrophenyl)-N-pyrrolidin-3-yltriazole-4-carboxamide
SMILESCc1c(C(=O)N(C)C2CCNC2)nnn1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H18N6O3/c1-10-14(15(22)19(2)13-6-7-16-9-13)17-18-20(10)11-4-3-5-12(8-11)21(23)24/h3-5,8,13,16H,6-7,9H2,1-2H3
InChIKeyHHIUDMWTYCTMRP-UHFFFAOYSA-N
XLogP0.92
TPSA106.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N,5-dimethyl-1-(3-nitrophenyl)-N-pyrrolidin-3-yltriazole-4-carboxamide 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

5-methyl-1-(3-nitrophenyl)-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide
CID 119532069
N-methyl-1-(3-nitrophenyl)-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
CID 119552733
N,N-diethyl-5-methyl-1-(3-nitrophenyl)triazole-4-carboxamide
CID 134002140
1-(3-fluorophenyl)-N-methyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)triazole-4-carboxamide
CID 119552344
N,5-dimethyl-N-piperidin-4-yl-1-quinolin-6-yltriazole-4-carboxamide
CID 119441874
N,N-bis(2-methoxyethyl)-5-methyl-1-(3-nitrophenyl)triazole-4-carboxamide
CID 55523547
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-1-(3-nitrophenyl)triazole-4-carboxamide;hydrochloride
CID 119458149
3,9-diazabicyclo[4.2.1]nonan-3-yl-[5-methyl-1-(3-nitrophenyl)triazol-4-yl]methanone
CID 119637985
N-[(4-fluorophenyl)methyl]-5-methyl-1-(3-nitrophenyl)triazole-4-carboxamide
CID 31758219
N-(2-adamantyl)-5-methyl-1-(3-nitrophenyl)triazole-4-carboxamide
CID 78842312
N-[2-(4-fluorophenyl)ethyl]-5-methyl-1-(3-nitrophenyl)triazole-4-carboxamide
CID 31758167
6-methyl-1-[5-methyl-1-(3-nitrophenyl)triazole-4-carbonyl]piperidine-3-carboxylic acid
CID 122114139

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-1-(3-nitrophenyl)-N-pyrrolidin-3-yltriazole-4-carboxamide?
The IUPAC name of N,5-dimethyl-1-(3-nitrophenyl)-N-pyrrolidin-3-yltriazole-4-carboxamide (CID 119553182) is N,5-dimethyl-1-(3-nitrophenyl)-N-pyrrolidin-3-yltriazole-4-carboxamide.
What is the SMILES notation for N,5-dimethyl-1-(3-nitrophenyl)-N-pyrrolidin-3-yltriazole-4-carboxamide?
The canonical SMILES for N,5-dimethyl-1-(3-nitrophenyl)-N-pyrrolidin-3-yltriazole-4-carboxamide is Cc1c(C(=O)N(C)C2CCNC2)nnn1-c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N,5-dimethyl-1-(3-nitrophenyl)-N-pyrrolidin-3-yltriazole-4-carboxamide?
The InChIKey is HHIUDMWTYCTMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O3/c1-10-14(15(22)19(2)13-6-7-16-9-13)17-18-20(10)11-4-3-5-12(8-11)21(23)24/h3-5,8,13,16H,6-7,9H2,1-2H3.
What are the key properties of N,5-dimethyl-1-(3-nitrophenyl)-N-pyrrolidin-3-yltriazole-4-carboxamide?
N,5-dimethyl-1-(3-nitrophenyl)-N-pyrrolidin-3-yltriazole-4-carboxamide has a molecular weight of 330.35 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-1-(3-nitrophenyl)-N-pyrrolidin-3-yltriazole-4-carboxamide is sourced from PubChem (CID 119553182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).