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

C12H18N6O — CID 56892131

IUPACN-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2H-triazole-4-carboxamide
SMILESCCc1c(C)nn(CCNC(=O)c2cn[nH]n2)c1C
InChIInChI=1S/C12H18N6O/c1-4-10-8(2)16-18(9(10)3)6-5-13-12(19)11-7-14-17-15-11/h7H,4-6H2,1-3H3,(H,13,19)(H,14,15,17)
InChIKeyOIPXEQFUVCBCSL-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.61
Rot. Bonds5

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

N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2H-triazole-4-carboxamide (PubChem CID 56892131) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2H-triazole-4-carboxamide
PubChem CID56892131
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC NameN-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2H-triazole-4-carboxamide
SMILESCCc1c(C)nn(CCNC(=O)c2cn[nH]n2)c1C
InChIInChI=1S/C12H18N6O/c1-4-10-8(2)16-18(9(10)3)6-5-13-12(19)11-7-14-17-15-11/h7H,4-6H2,1-3H3,(H,13,19)(H,14,15,17)
InChIKeyOIPXEQFUVCBCSL-UHFFFAOYSA-N
XLogP0.61
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

1-ethyl-4-{[(1,3,5-trimethyl-1H-pyrazol-4-yl)carbonyl]amino}-1H-pyrazole-3-carboxamide
CID 4772788
N-[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 19398373
N-[1-ethyl-3-(propylcarbamoyl)pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 19398390
N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(tetrahydro-2-furanylmethyl)-1H-1,2,3-triazole-4-carboxamide
CID 45212693
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 46968232
1-(2-aminoethyl)-N-{2-methyl-3-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}-1H-1,2,3-triazole-4-carboxamide
CID 70705811
N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)-1H-1,2,3-triazole-4-carboxamide
CID 70706385
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 70712427
N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)-1H-1,2,3-triazole-4-carboxamide
CID 70739007
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 70755345
N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)-1H-1,2,3-triazole-4-carboxamide
CID 70764277
N-[1-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-methyl-1-propyl-1H-pyrazole-4-carboxamide
CID 72874137

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2H-triazole-4-carboxamide (CID 56892131) is N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2H-triazole-4-carboxamide is CCc1c(C)nn(CCNC(=O)c2cn[nH]n2)c1C.
What is the InChIKey of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2H-triazole-4-carboxamide?
The InChIKey is OIPXEQFUVCBCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-4-10-8(2)16-18(9(10)3)6-5-13-12(19)11-7-14-17-15-11/h7H,4-6H2,1-3H3,(H,13,19)(H,14,15,17).
What are the key properties of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2H-triazole-4-carboxamide?
N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2H-triazole-4-carboxamide has a molecular weight of 262.32 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 56892131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).