2-[2-(methylamino)ethyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide

C16H22N4O — CID 104547712

IUPAC2-[2-(methylamino)ethyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
SMILESCNCCc1ccccc1C(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C16H22N4O/c1-11-15(12(2)20(4)19-11)18-16(21)14-8-6-5-7-13(14)9-10-17-3/h5-8,17H,9-10H2,1-4H3,(H,18,21)
InChIKeyHXMIFMSLQMIHIP-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.05
Rot. Bonds5

About 2-[2-(methylamino)ethyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide

2-[2-(methylamino)ethyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide (PubChem CID 104547712) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[2-(methylamino)ethyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name2-[2-(methylamino)ethyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
PubChem CID104547712
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[2-(methylamino)ethyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
SMILESCNCCc1ccccc1C(=O)Nc1c(C)nn(C)c1C
InChIInChI=1S/C16H22N4O/c1-11-15(12(2)20(4)19-11)18-16(21)14-8-6-5-7-13(14)9-10-17-3/h5-8,17H,9-10H2,1-4H3,(H,18,21)
InChIKeyHXMIFMSLQMIHIP-UHFFFAOYSA-N
XLogP2.05
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyrrol-1-yl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 3773288
2-ethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 19393618
N-(3-ethyl-1-methylpyrazol-4-yl)-2-[2-(methylamino)ethyl]benzamide
CID 107463107
2-[2-(methylamino)ethyl]benzohydrazide
CID 104547939
2,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)furan-3-carboxamide
CID 24655014
N-[4-(hydroxymethyl)phenyl]-2-[2-(methylamino)ethyl]benzamide
CID 104548252
N-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-3-carboxamide
CID 47113057
N-(2-chloro-4-methylphenyl)-2-[2-(methylamino)ethyl]benzamide
CID 104547383
N-(1,3,5-trimethylpyrazol-4-yl)-1H-indole-4-carboxamide
CID 61258967
3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 19346499
methyl 2-[[3,5-dimethyl-4-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]pyrazol-1-yl]methyl]benzoate
CID 19406662
N,N-diethyl-2-[2-(methylamino)ethyl]benzamide
CID 104547231

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)ethyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
The IUPAC name of 2-[2-(methylamino)ethyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide (CID 104547712) is 2-[2-(methylamino)ethyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide.
What is the SMILES notation for 2-[2-(methylamino)ethyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
The canonical SMILES for 2-[2-(methylamino)ethyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide is CNCCc1ccccc1C(=O)Nc1c(C)nn(C)c1C.
What is the InChIKey of 2-[2-(methylamino)ethyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
The InChIKey is HXMIFMSLQMIHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11-15(12(2)20(4)19-11)18-16(21)14-8-6-5-7-13(14)9-10-17-3/h5-8,17H,9-10H2,1-4H3,(H,18,21).
What are the key properties of 2-[2-(methylamino)ethyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
2-[2-(methylamino)ethyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide has a molecular weight of 286.38 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)ethyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide is sourced from PubChem (CID 104547712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).