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

C15H20N4O — CID 106106392

IUPAC2-methyl-4-(methylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
SMILESCNc1ccc(C(=O)NCCc2ccn(C)n2)c(C)c1
InChIInChI=1S/C15H20N4O/c1-11-10-13(16-2)4-5-14(11)15(20)17-8-6-12-7-9-19(3)18-12/h4-5,7,9-10,16H,6,8H2,1-3H3,(H,17,20)
InChIKeyROTQDAUTNFMHMK-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.74
Rot. Bonds5

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

2-methyl-4-(methylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide (PubChem CID 106106392) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-methyl-4-(methylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-methyl-4-(methylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
PubChem CID106106392
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-methyl-4-(methylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
SMILESCNc1ccc(C(=O)NCCc2ccn(C)n2)c(C)c1
InChIInChI=1S/C15H20N4O/c1-11-10-13(16-2)4-5-14(11)15(20)17-8-6-12-7-9-19(3)18-12/h4-5,7,9-10,16H,6,8H2,1-3H3,(H,17,20)
InChIKeyROTQDAUTNFMHMK-UHFFFAOYSA-N
XLogP1.74
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
CID 106103857
4-hydroxy-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 113343584
4-amino-6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-3-carboxamide
CID 106106388
2-amino-5-hydroxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
CID 106103789
2-bromo-5-fluoro-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
CID 104627197
4-cyano-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
CID 104627123
5-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 106106156
5-amino-2-(dimethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
CID 106103817
2-ethyl-6-(methylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-4-carboxamide
CID 106106349
3,4-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19330914
2-(ethylamino)-6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-4-carboxamide
CID 106106391
5-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-1H-1,2,4-triazole-3-carboxamide
CID 106106200

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(methylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide?
The IUPAC name of 2-methyl-4-(methylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide (CID 106106392) is 2-methyl-4-(methylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 2-methyl-4-(methylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide?
The canonical SMILES for 2-methyl-4-(methylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide is CNc1ccc(C(=O)NCCc2ccn(C)n2)c(C)c1.
What is the InChIKey of 2-methyl-4-(methylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide?
The InChIKey is ROTQDAUTNFMHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11-10-13(16-2)4-5-14(11)15(20)17-8-6-12-7-9-19(3)18-12/h4-5,7,9-10,16H,6,8H2,1-3H3,(H,17,20).
What are the key properties of 2-methyl-4-(methylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide?
2-methyl-4-(methylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide has a molecular weight of 272.35 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(methylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 106106392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).