1-benzyl-N-[2-[ethyl(methyl)amino]phenyl]-5-methylpyrazole-4-carboxamide

C21H24N4O — CID 86934393

IUPAC1-benzyl-N-[2-[ethyl(methyl)amino]phenyl]-5-methylpyrazole-4-carboxamide
SMILESCCN(C)c1ccccc1NC(=O)c1cnn(Cc2ccccc2)c1C
InChIInChI=1S/C21H24N4O/c1-4-24(3)20-13-9-8-12-19(20)23-21(26)18-14-22-25(16(18)2)15-17-10-6-5-7-11-17/h5-14H,4,15H2,1-3H3,(H,23,26)
InChIKeyLYADUAHTMSGDBF-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.95
Rot. Bonds6

About 1-benzyl-N-[2-[ethyl(methyl)amino]phenyl]-5-methylpyrazole-4-carboxamide

1-benzyl-N-[2-[ethyl(methyl)amino]phenyl]-5-methylpyrazole-4-carboxamide (PubChem CID 86934393) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-benzyl-N-[2-[ethyl(methyl)amino]phenyl]-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-[ethyl(methyl)amino]phenyl]-5-methylpyrazole-4-carboxamide
PubChem CID86934393
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name1-benzyl-N-[2-[ethyl(methyl)amino]phenyl]-5-methylpyrazole-4-carboxamide
SMILESCCN(C)c1ccccc1NC(=O)c1cnn(Cc2ccccc2)c1C
InChIInChI=1S/C21H24N4O/c1-4-24(3)20-13-9-8-12-19(20)23-21(26)18-14-22-25(16(18)2)15-17-10-6-5-7-11-17/h5-14H,4,15H2,1-3H3,(H,23,26)
InChIKeyLYADUAHTMSGDBF-UHFFFAOYSA-N
XLogP3.95
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-5-methyl-N-(4-propylphenyl)pyrazole-4-carboxamide
CID 112827142
N-(2-amino-2-methylpropyl)-1-benzyl-5-methylpyrazole-4-carboxamide
CID 119629878
1-benzyl-N-[2-(ethylamino)ethyl]-5-methylpyrazole-4-carboxamide
CID 119508720
1-benzyl-5-ethyl-N-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 78874158
1-benzyl-N-(2-bromophenyl)-5-ethylpyrazole-4-carboxamide
CID 78874152
3-[(1-benzyl-5-methylpyrazole-4-carbonyl)-ethylamino]propanoic acid
CID 119191117
N-(2-amino-2-ethylbutyl)-1-benzyl-5-methylpyrazole-4-carboxamide
CID 119643220
N-(2-amino-2-ethylbutyl)-1-benzyl-5-methylpyrazole-4-carboxamide;hydrochloride
CID 119643219
1-benzyl-5-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]pyrazole-4-carboxamide
CID 99817337
1-benzyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-5-methylpyrazole-4-carboxamide
CID 86848638
2-[(1-benzyl-5-methylpyrazole-4-carbonyl)-methylamino]acetic acid
CID 119171995
1-benzyl-5-ethyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 78873630

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-[ethyl(methyl)amino]phenyl]-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[2-[ethyl(methyl)amino]phenyl]-5-methylpyrazole-4-carboxamide (CID 86934393) is 1-benzyl-N-[2-[ethyl(methyl)amino]phenyl]-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-[ethyl(methyl)amino]phenyl]-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-[ethyl(methyl)amino]phenyl]-5-methylpyrazole-4-carboxamide is CCN(C)c1ccccc1NC(=O)c1cnn(Cc2ccccc2)c1C.
What is the InChIKey of 1-benzyl-N-[2-[ethyl(methyl)amino]phenyl]-5-methylpyrazole-4-carboxamide?
The InChIKey is LYADUAHTMSGDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-4-24(3)20-13-9-8-12-19(20)23-21(26)18-14-22-25(16(18)2)15-17-10-6-5-7-11-17/h5-14H,4,15H2,1-3H3,(H,23,26).
What are the key properties of 1-benzyl-N-[2-[ethyl(methyl)amino]phenyl]-5-methylpyrazole-4-carboxamide?
1-benzyl-N-[2-[ethyl(methyl)amino]phenyl]-5-methylpyrazole-4-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-[ethyl(methyl)amino]phenyl]-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 86934393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).