N-benzyl-3-(3,4-dimethylphenyl)-N-ethyl-1H-pyrazole-5-carboxamide

C21H23N3O — CID 20918361

IUPACN-benzyl-3-(3,4-dimethylphenyl)-N-ethyl-1H-pyrazole-5-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(-c2ccc(C)c(C)c2)n[nH]1
InChIInChI=1S/C21H23N3O/c1-4-24(14-17-8-6-5-7-9-17)21(25)20-13-19(22-23-20)18-11-10-15(2)16(3)12-18/h5-13H,4,14H2,1-3H3,(H,22,23)
InChIKeyCZILOOMTILLODZ-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.36
Rot. Bonds5

About N-benzyl-3-(3,4-dimethylphenyl)-N-ethyl-1H-pyrazole-5-carboxamide

N-benzyl-3-(3,4-dimethylphenyl)-N-ethyl-1H-pyrazole-5-carboxamide (PubChem CID 20918361) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N-benzyl-3-(3,4-dimethylphenyl)-N-ethyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-(3,4-dimethylphenyl)-N-ethyl-1H-pyrazole-5-carboxamide
PubChem CID20918361
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC NameN-benzyl-3-(3,4-dimethylphenyl)-N-ethyl-1H-pyrazole-5-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cc(-c2ccc(C)c(C)c2)n[nH]1
InChIInChI=1S/C21H23N3O/c1-4-24(14-17-8-6-5-7-9-17)21(25)20-13-19(22-23-20)18-11-10-15(2)16(3)12-18/h5-13H,4,14H2,1-3H3,(H,22,23)
InChIKeyCZILOOMTILLODZ-UHFFFAOYSA-N
XLogP4.36
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-benzyl-3-(3,4-dimethylphenyl)-N-ethyl-1H-pyrazole-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

N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 18870913
US10022354, Example 61
CID 121279700
US10022354, Example 183
CID 121279732
phenyl(3-phenyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)methanone
CID 17582198
N-methyl-4,5-dihydro-1H-benzo[g]indazole-3-carboxamide
CID 20954266
Cumyl-inaca
CID 117645167
3-(4-fluorophenyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1H-pyrazole-5-carboxamide
CID 145970598
3-cyclopropyl-N'-[(E)-1-naphthylmethylidene]-1H-pyrazole-5-carbohydrazide
CID 6889175
5-Methyl-2H-pyrazole-3-carboxylic acid anthracen-9-ylmethylene-hydrazide
CID 9556533
3-methyl-N'-(2-naphthylmethylene)-1H-pyrazole-5-carbohydrazide
CID 9556881
3,4-dihydro-1H-isoquinolin-2-yl-(5-methyl-1H-pyrazol-3-yl)methanone
CID 20918269
N-[2-(dimethylamino)ethyl]-4,5-dihydro-1H-benzo[g]indazole-3-carboxamide
CID 20953939

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(3,4-dimethylphenyl)-N-ethyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-benzyl-3-(3,4-dimethylphenyl)-N-ethyl-1H-pyrazole-5-carboxamide (CID 20918361) is N-benzyl-3-(3,4-dimethylphenyl)-N-ethyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-benzyl-3-(3,4-dimethylphenyl)-N-ethyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-benzyl-3-(3,4-dimethylphenyl)-N-ethyl-1H-pyrazole-5-carboxamide is CCN(Cc1ccccc1)C(=O)c1cc(-c2ccc(C)c(C)c2)n[nH]1.
What is the InChIKey of N-benzyl-3-(3,4-dimethylphenyl)-N-ethyl-1H-pyrazole-5-carboxamide?
The InChIKey is CZILOOMTILLODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-4-24(14-17-8-6-5-7-9-17)21(25)20-13-19(22-23-20)18-11-10-15(2)16(3)12-18/h5-13H,4,14H2,1-3H3,(H,22,23).
What are the key properties of N-benzyl-3-(3,4-dimethylphenyl)-N-ethyl-1H-pyrazole-5-carboxamide?
N-benzyl-3-(3,4-dimethylphenyl)-N-ethyl-1H-pyrazole-5-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(3,4-dimethylphenyl)-N-ethyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 20918361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).