N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1H-1,2,4-triazole-5-carboxamide

C11H16N6O — CID 113276434

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)c2ncn[nH]2)n1
InChIInChI=1S/C11H16N6O/c1-8-6-9(2)17(16-8)5-3-4-12-11(18)10-13-7-14-15-10/h6-7H,3-5H2,1-2H3,(H,12,18)(H,13,14,15)
InChIKeyHKORSWWVJBVLJM-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.44
Rot. Bonds5

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1H-1,2,4-triazole-5-carboxamide

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 113276434) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID113276434
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCc1cc(C)n(CCCNC(=O)c2ncn[nH]2)n1
InChIInChI=1S/C11H16N6O/c1-8-6-9(2)17(16-8)5-3-4-12-11(18)10-13-7-14-15-10/h6-7H,3-5H2,1-2H3,(H,12,18)(H,13,14,15)
InChIKeyHKORSWWVJBVLJM-UHFFFAOYSA-N
XLogP0.44
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1H-1,2,4-triazole-5-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

1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
CID 43020223
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide
CID 115571202
1,3-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylguanidine;hydroiodide
CID 111278100
1-butyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 19332430
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylguanidine
CID 110914283
N-(4-methylsulfanylbutyl)-1H-1,2,4-triazole-5-carboxamide
CID 115749145
4-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19268292
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 34733419
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-iodo-1-methylpyrazole-3-carboxamide
CID 19262015
4-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-methylpyrazole-3-carboxamide
CID 19620393
3,4-dichloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 30954663
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethoxybenzamide
CID 19293707

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1H-1,2,4-triazole-5-carboxamide (CID 113276434) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1H-1,2,4-triazole-5-carboxamide is Cc1cc(C)n(CCCNC(=O)c2ncn[nH]2)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is HKORSWWVJBVLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-8-6-9(2)17(16-8)5-3-4-12-11(18)10-13-7-14-15-10/h6-7H,3-5H2,1-2H3,(H,12,18)(H,13,14,15).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1H-1,2,4-triazole-5-carboxamide?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 113276434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).