N-(4-ethoxyphenyl)-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide

C21H23N3O2 — CID 46584032

IUPACN-(4-ethoxyphenyl)-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cnn(-c3ccc(C)cc3)c2CC)cc1
InChIInChI=1S/C21H23N3O2/c1-4-20-19(14-22-24(20)17-10-6-15(3)7-11-17)21(25)23-16-8-12-18(13-9-16)26-5-2/h6-14H,4-5H2,1-3H3,(H,23,25)
InChIKeyDKSRVUSNCOXVSW-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.39
Rot. Bonds6

About N-(4-ethoxyphenyl)-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide

N-(4-ethoxyphenyl)-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide (PubChem CID 46584032) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide
PubChem CID46584032
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-(4-ethoxyphenyl)-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cnn(-c3ccc(C)cc3)c2CC)cc1
InChIInChI=1S/C21H23N3O2/c1-4-20-19(14-22-24(20)17-10-6-15(3)7-11-17)21(25)23-16-8-12-18(13-9-16)26-5-2/h6-14H,4-5H2,1-3H3,(H,23,25)
InChIKeyDKSRVUSNCOXVSW-UHFFFAOYSA-N
XLogP4.39
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N,1-bis(4-methylphenyl)pyrazole-4-carboxamide
CID 46584156
N-[4-(2-amino-2-oxoethoxy)phenyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 37437633
N-(4-ethoxyphenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31855056
N-(3-cyanophenyl)-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 46586204
5-ethyl-1-(4-methylphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]pyrazole-4-carboxamide
CID 37437425
N-[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 55786497
N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 55963533
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 55581030
5-ethyl-1-(4-methylphenyl)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrazole-4-carboxamide
CID 55576435
N-(3,4-dimethylphenyl)-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 46577913
5-ethyl-1-(4-methylphenyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pyrazole-4-carboxamide
CID 55676186
N'-benzoyl-5-ethyl-1-(4-methylphenyl)pyrazole-4-carbohydrazide
CID 46582435

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide (CID 46584032) is N-(4-ethoxyphenyl)-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide is CCOc1ccc(NC(=O)c2cnn(-c3ccc(C)cc3)c2CC)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is DKSRVUSNCOXVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-4-20-19(14-22-24(20)17-10-6-15(3)7-11-17)21(25)23-16-8-12-18(13-9-16)26-5-2/h6-14H,4-5H2,1-3H3,(H,23,25).
What are the key properties of N-(4-ethoxyphenyl)-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide?
N-(4-ethoxyphenyl)-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 349.43 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 46584032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).