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

C16H22N4O — CID 103011268

IUPAC4-(ethylamino)-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
SMILESCCNc1ccc(C(=O)NCCc2ccnn2C)c(C)c1
InChIInChI=1S/C16H22N4O/c1-4-17-13-5-6-15(12(2)11-13)16(21)18-9-7-14-8-10-19-20(14)3/h5-6,8,10-11,17H,4,7,9H2,1-3H3,(H,18,21)
InChIKeyRWPORNYRFNBNJU-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.13
Rot. Bonds6

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

4-(ethylamino)-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide (PubChem CID 103011268) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-(ethylamino)-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(ethylamino)-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
PubChem CID103011268
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-(ethylamino)-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
SMILESCCNc1ccc(C(=O)NCCc2ccnn2C)c(C)c1
InChIInChI=1S/C16H22N4O/c1-4-17-13-5-6-15(12(2)11-13)16(21)18-9-7-14-8-10-19-20(14)3/h5-6,8,10-11,17H,4,7,9H2,1-3H3,(H,18,21)
InChIKeyRWPORNYRFNBNJU-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

2-hydroxy-3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 104693761
4-(ethylamino)-2-methyl-N-pentylbenzamide
CID 113400130
3-amino-4-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 103004037
2,5-dihydroxy-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 107723981
3-amino-4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 103004100
2-hydroxy-5-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 104693736
1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693382
3,4,5-trifluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 104693722
5-amino-2-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 103004068
4-methyl-N-[2-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]benzamide
CID 103000982
5-hydrazinyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide
CID 103011437
2-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propylpyridine-4-carboxamide
CID 103005653

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide?
The IUPAC name of 4-(ethylamino)-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide (CID 103011268) is 4-(ethylamino)-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 4-(ethylamino)-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide?
The canonical SMILES for 4-(ethylamino)-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide is CCNc1ccc(C(=O)NCCc2ccnn2C)c(C)c1.
What is the InChIKey of 4-(ethylamino)-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide?
The InChIKey is RWPORNYRFNBNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-17-13-5-6-15(12(2)11-13)16(21)18-9-7-14-8-10-19-20(14)3/h5-6,8,10-11,17H,4,7,9H2,1-3H3,(H,18,21).
What are the key properties of 4-(ethylamino)-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide?
4-(ethylamino)-2-methyl-N-[2-(2-methylpyrazol-3-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)-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 103011268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).