N-[2-(N-ethylanilino)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide

C21H24N4O — CID 5307906

IUPACN-[2-(N-ethylanilino)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide
SMILESCCN(CCNC(=O)c1cc(C)nn1-c1ccccc1)c1ccccc1
InChIInChI=1S/C21H24N4O/c1-3-24(18-10-6-4-7-11-18)15-14-22-21(26)20-16-17(2)23-25(20)19-12-8-5-9-13-19/h4-13,16H,3,14-15H2,1-2H3,(H,22,26)
InChIKeyGFENRCNSKVSIJK-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.44
Rot. Bonds7

About N-[2-(N-ethylanilino)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide

N-[2-(N-ethylanilino)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide (PubChem CID 5307906) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[2-(N-ethylanilino)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(N-ethylanilino)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide
PubChem CID5307906
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-[2-(N-ethylanilino)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide
SMILESCCN(CCNC(=O)c1cc(C)nn1-c1ccccc1)c1ccccc1
InChIInChI=1S/C21H24N4O/c1-3-24(18-10-6-4-7-11-18)15-14-22-21(26)20-16-17(2)23-25(20)19-12-8-5-9-13-19/h4-13,16H,3,14-15H2,1-2H3,(H,22,26)
InChIKeyGFENRCNSKVSIJK-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

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CID 24962989
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CID 9205925
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CID 747516
1-(tert-butyl)-5-methyl-N-phenyl-1H-pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(N-ethylanilino)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[2-(N-ethylanilino)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide (CID 5307906) is N-[2-(N-ethylanilino)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(N-ethylanilino)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-(N-ethylanilino)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide is CCN(CCNC(=O)c1cc(C)nn1-c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-(N-ethylanilino)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide?
The InChIKey is GFENRCNSKVSIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-3-24(18-10-6-4-7-11-18)15-14-22-21(26)20-16-17(2)23-25(20)19-12-8-5-9-13-19/h4-13,16H,3,14-15H2,1-2H3,(H,22,26).
What are the key properties of N-[2-(N-ethylanilino)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide?
N-[2-(N-ethylanilino)ethyl]-5-methyl-2-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-ethylanilino)ethyl]-5-methyl-2-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 5307906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).