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

C24H30N4O — CID 55964829

IUPAC1-benzyl-N-[2-(N-ethyl-2-methylanilino)ethyl]-3,5-dimethylpyrazole-4-carboxamide
SMILESCCN(CCNC(=O)c1c(C)nn(Cc2ccccc2)c1C)c1ccccc1C
InChIInChI=1S/C24H30N4O/c1-5-27(22-14-10-9-11-18(22)2)16-15-25-24(29)23-19(3)26-28(20(23)4)17-21-12-7-6-8-13-21/h6-14H,5,15-17H2,1-4H3,(H,25,29)
InChIKeyIGZIWNRTUMUCNX-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.11
Rot. Bonds8

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

1-benzyl-N-[2-(N-ethyl-2-methylanilino)ethyl]-3,5-dimethylpyrazole-4-carboxamide (PubChem CID 55964829) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is 1-benzyl-N-[2-(N-ethyl-2-methylanilino)ethyl]-3,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-(N-ethyl-2-methylanilino)ethyl]-3,5-dimethylpyrazole-4-carboxamide
PubChem CID55964829
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name1-benzyl-N-[2-(N-ethyl-2-methylanilino)ethyl]-3,5-dimethylpyrazole-4-carboxamide
SMILESCCN(CCNC(=O)c1c(C)nn(Cc2ccccc2)c1C)c1ccccc1C
InChIInChI=1S/C24H30N4O/c1-5-27(22-14-10-9-11-18(22)2)16-15-25-24(29)23-19(3)26-28(20(23)4)17-21-12-7-6-8-13-21/h6-14H,5,15-17H2,1-4H3,(H,25,29)
InChIKeyIGZIWNRTUMUCNX-UHFFFAOYSA-N
XLogP4.11
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[2-(N-ethyl-2-methylanilino)ethyl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 55717591
3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-(4-phenylbutyl)pyrazole-4-carboxamide
CID 24563594
N-(2-benzylsulfanylethyl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 9470309
1-benzyl-3,5-dimethylpyrazole-4-carboxylic acid
CID 2826762
1-benzyl-3,5-dimethyl-N-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-4-carboxamide
CID 46612646
1-benzyl-5-chloro-N-[2-[di(propan-2-yl)amino]ethyl]-3-methylpyrazole-4-carboxamide
CID 30480679
1-benzyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxamide
CID 17472291
1-benzyl-N-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide
CID 9209843
1-benzyl-5-chloro-N-(2-hydroxyethyl)-3-methylpyrazole-4-carboxamide
CID 78800646
N-[2-(N-ethyl-2-methylanilino)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 120703807
3-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carbonyl]amino]propanoic acid
CID 119176931
1-[(2-chlorophenyl)methyl]-N-(3-hydroxypropyl)-3,5-dimethylpyrazole-4-carboxamide
CID 78798305

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-(N-ethyl-2-methylanilino)ethyl]-3,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[2-(N-ethyl-2-methylanilino)ethyl]-3,5-dimethylpyrazole-4-carboxamide (CID 55964829) is 1-benzyl-N-[2-(N-ethyl-2-methylanilino)ethyl]-3,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-(N-ethyl-2-methylanilino)ethyl]-3,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-(N-ethyl-2-methylanilino)ethyl]-3,5-dimethylpyrazole-4-carboxamide is CCN(CCNC(=O)c1c(C)nn(Cc2ccccc2)c1C)c1ccccc1C.
What is the InChIKey of 1-benzyl-N-[2-(N-ethyl-2-methylanilino)ethyl]-3,5-dimethylpyrazole-4-carboxamide?
The InChIKey is IGZIWNRTUMUCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-5-27(22-14-10-9-11-18(22)2)16-15-25-24(29)23-19(3)26-28(20(23)4)17-21-12-7-6-8-13-21/h6-14H,5,15-17H2,1-4H3,(H,25,29).
What are the key properties of 1-benzyl-N-[2-(N-ethyl-2-methylanilino)ethyl]-3,5-dimethylpyrazole-4-carboxamide?
1-benzyl-N-[2-(N-ethyl-2-methylanilino)ethyl]-3,5-dimethylpyrazole-4-carboxamide has a molecular weight of 390.53 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-(N-ethyl-2-methylanilino)ethyl]-3,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 55964829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).