4-(ethylamino)-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide

C16H22N4O — CID 80690560

IUPAC4-(ethylamino)-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
SMILESCCNc1ccc(C(=O)NCCc2cnn(C)c2)cc1C
InChIInChI=1S/C16H22N4O/c1-4-17-15-6-5-14(9-12(15)2)16(21)18-8-7-13-10-19-20(3)11-13/h5-6,9-11,17H,4,7-8H2,1-3H3,(H,18,21)
InChIKeyPUDRSPHEUUNWEM-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.13
Rot. Bonds6

About 4-(ethylamino)-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide

4-(ethylamino)-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide (PubChem CID 80690560) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-(ethylamino)-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(ethylamino)-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
PubChem CID80690560
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-(ethylamino)-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
SMILESCCNc1ccc(C(=O)NCCc2cnn(C)c2)cc1C
InChIInChI=1S/C16H22N4O/c1-4-17-15-6-5-14(9-12(15)2)16(21)18-8-7-13-10-19-20(3)11-13/h5-6,9-11,17H,4,7-8H2,1-3H3,(H,18,21)
InChIKeyPUDRSPHEUUNWEM-UHFFFAOYSA-N
XLogP2.13
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 103951812
3-chloro-4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 47291440
3-amino-4-ethoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 78984283
2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-sulfanylbenzamide
CID 107032871
4-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-nitrobenzamide
CID 80685172
4-(ethylamino)-3-methyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 63214027
3-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 78982638
1-methyl-4-[2-[[4-methyl-3-(4-methyl-N-sulfinatoanilino)benzoyl]amino]ethyl]pyrazole
CID 175034715
3-bromo-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide
CID 52869461
N-ethyl-3-methyl-4-(2-phenylethylamino)benzamide
CID 60934976
4-(ethylamino)-N-[2-(methanesulfonamido)ethyl]-3-methylbenzamide
CID 63210748
6-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 112731793

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide?
The IUPAC name of 4-(ethylamino)-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide (CID 80690560) is 4-(ethylamino)-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 4-(ethylamino)-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide?
The canonical SMILES for 4-(ethylamino)-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide is CCNc1ccc(C(=O)NCCc2cnn(C)c2)cc1C.
What is the InChIKey of 4-(ethylamino)-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide?
The InChIKey is PUDRSPHEUUNWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-17-15-6-5-14(9-12(15)2)16(21)18-8-7-13-10-19-20(3)11-13/h5-6,9-11,17H,4,7-8H2,1-3H3,(H,18,21).
What are the key properties of 4-(ethylamino)-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide?
4-(ethylamino)-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide has a molecular weight of 286.38 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 80690560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).