1-benzyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxamide

C19H26N4O2 — CID 17472291

IUPAC1-benzyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxamide
SMILESCCNC(=O)CN(CC)C(=O)c1c(C)nn(Cc2ccccc2)c1C
InChIInChI=1S/C19H26N4O2/c1-5-20-17(24)13-22(6-2)19(25)18-14(3)21-23(15(18)4)12-16-10-8-7-9-11-16/h7-11H,5-6,12-13H2,1-4H3,(H,20,24)
InChIKeyXFOZKPBWVJUWGL-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.15
Rot. Bonds7

About 1-benzyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxamide

1-benzyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxamide (PubChem CID 17472291) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-benzyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxamide
PubChem CID17472291
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-benzyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxamide
SMILESCCNC(=O)CN(CC)C(=O)c1c(C)nn(Cc2ccccc2)c1C
InChIInChI=1S/C19H26N4O2/c1-5-20-17(24)13-22(6-2)19(25)18-14(3)21-23(15(18)4)12-16-10-8-7-9-11-16/h7-11H,5-6,12-13H2,1-4H3,(H,20,24)
InChIKeyXFOZKPBWVJUWGL-UHFFFAOYSA-N
XLogP2.15
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3,5-dimethylpyrazole-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-benzyl-5-chloro-N,N-diethyl-3-methylpyrazole-4-carboxamide
CID 78777237
1-benzyl-3,5-dimethylpyrazole-4-carboxylic acid
CID 2826762
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[benzyl(ethyl)amino]acetamide
CID 18129608
1-benzyl-N-[2-(N-ethyl-2-methylanilino)ethyl]-3,5-dimethylpyrazole-4-carboxamide
CID 55964829
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 110883026
1-benzyl-N-[2-(benzylamino)-2-oxoethyl]-5-chloro-N,3-dimethylpyrazole-4-carboxamide
CID 154861363
N-benzyl-1-[(2-chlorophenyl)methyl]-N-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-carboxamide
CID 78798376
1-benzyl-3,5-dimethyl-N-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-4-carboxamide
CID 46612646
3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-(4-phenylbutyl)pyrazole-4-carboxamide
CID 24563594
1-benzyl-N-[(4-methoxyphenyl)methyl]-N,3,5-trimethylpyrazole-4-carboxamide
CID 29219521
1-benzyl-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 16552634
[2-[benzyl(ethyl)amino]-2-oxoethyl] 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate
CID 7690818

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxamide (CID 17472291) is 1-benzyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxamide is CCNC(=O)CN(CC)C(=O)c1c(C)nn(Cc2ccccc2)c1C.
What is the InChIKey of 1-benzyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxamide?
The InChIKey is XFOZKPBWVJUWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-5-20-17(24)13-22(6-2)19(25)18-14(3)21-23(15(18)4)12-16-10-8-7-9-11-16/h7-11H,5-6,12-13H2,1-4H3,(H,20,24).
What are the key properties of 1-benzyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxamide?
1-benzyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 17472291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).