N-[2-(N-ethyl-2-methylanilino)ethyl]-1-phenylpyrazole-3-carboxamide

C21H24N4O — CID 46478570

IUPACN-[2-(N-ethyl-2-methylanilino)ethyl]-1-phenylpyrazole-3-carboxamide
SMILESCCN(CCNC(=O)c1ccn(-c2ccccc2)n1)c1ccccc1C
InChIInChI=1S/C21H24N4O/c1-3-24(20-12-8-7-9-17(20)2)16-14-22-21(26)19-13-15-25(23-19)18-10-5-4-6-11-18/h4-13,15H,3,14,16H2,1-2H3,(H,22,26)
InChIKeyVICGFWCHMSZLSK-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.44
Rot. Bonds7

About N-[2-(N-ethyl-2-methylanilino)ethyl]-1-phenylpyrazole-3-carboxamide

N-[2-(N-ethyl-2-methylanilino)ethyl]-1-phenylpyrazole-3-carboxamide (PubChem CID 46478570) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[2-(N-ethyl-2-methylanilino)ethyl]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(N-ethyl-2-methylanilino)ethyl]-1-phenylpyrazole-3-carboxamide
PubChem CID46478570
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-[2-(N-ethyl-2-methylanilino)ethyl]-1-phenylpyrazole-3-carboxamide
SMILESCCN(CCNC(=O)c1ccn(-c2ccccc2)n1)c1ccccc1C
InChIInChI=1S/C21H24N4O/c1-3-24(20-12-8-7-9-17(20)2)16-14-22-21(26)19-13-15-25(23-19)18-10-5-4-6-11-18/h4-13,15H,3,14,16H2,1-2H3,(H,22,26)
InChIKeyVICGFWCHMSZLSK-UHFFFAOYSA-N
XLogP3.44
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[di(propan-2-yl)amino]ethyl]-1-phenylpyrazole-3-carboxamide
CID 39954880
3-[methyl-(1-phenylpyrazole-3-carbonyl)amino]propanoic acid
CID 60988552
N-(4-hydroxybutyl)-1-phenylpyrazole-3-carboxamide
CID 106843256
1-benzyl-N-[2-(N-ethyl-2-methylanilino)ethyl]-3,5-dimethylpyrazole-4-carboxamide
CID 55964829
1-phenyl-N-prop-2-enylpyrazole-3-carboxamide
CID 60756667
1-phenyl-N-(2-phenylsulfanylethyl)pyrazole-3-carboxamide
CID 39943724
4-(diethylsulfamoyl)-N-[2-(N-ethyl-2-methylanilino)ethyl]benzamide
CID 55725426
methyl 2-[(1-phenylpyrazole-3-carbonyl)amino]acetate
CID 38021237
N-[2-(N-ethyl-2-methylanilino)ethyl]-4-methyl-2-phenyl-1,3-oxazole-5-carboxamide
CID 71873836
3-amino-N-[2-(N-ethyl-2-methylanilino)ethyl]-2-methylbutanamide;dihydrochloride
CID 120503065
4-cyano-N-[2-(N-ethyl-2-methylanilino)ethyl]benzamide
CID 52608359
5-chloro-N-[2-(N-ethyl-2-methylanilino)ethyl]-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 55717591

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-ethyl-2-methylanilino)ethyl]-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[2-(N-ethyl-2-methylanilino)ethyl]-1-phenylpyrazole-3-carboxamide (CID 46478570) is N-[2-(N-ethyl-2-methylanilino)ethyl]-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(N-ethyl-2-methylanilino)ethyl]-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-(N-ethyl-2-methylanilino)ethyl]-1-phenylpyrazole-3-carboxamide is CCN(CCNC(=O)c1ccn(-c2ccccc2)n1)c1ccccc1C.
What is the InChIKey of N-[2-(N-ethyl-2-methylanilino)ethyl]-1-phenylpyrazole-3-carboxamide?
The InChIKey is VICGFWCHMSZLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-3-24(20-12-8-7-9-17(20)2)16-14-22-21(26)19-13-15-25(23-19)18-10-5-4-6-11-18/h4-13,15H,3,14,16H2,1-2H3,(H,22,26).
What are the key properties of N-[2-(N-ethyl-2-methylanilino)ethyl]-1-phenylpyrazole-3-carboxamide?
N-[2-(N-ethyl-2-methylanilino)ethyl]-1-phenylpyrazole-3-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-ethyl-2-methylanilino)ethyl]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 46478570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).