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

C16H22N4O — CID 107463107

IUPACN-(3-ethyl-1-methylpyrazol-4-yl)-2-[2-(methylamino)ethyl]benzamide
SMILESCCc1nn(C)cc1NC(=O)c1ccccc1CCNC
InChIInChI=1S/C16H22N4O/c1-4-14-15(11-20(3)19-14)18-16(21)13-8-6-5-7-12(13)9-10-17-2/h5-8,11,17H,4,9-10H2,1-3H3,(H,18,21)
InChIKeyHSYILIKMPSXDOI-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.00
Rot. Bonds6

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

N-(3-ethyl-1-methylpyrazol-4-yl)-2-[2-(methylamino)ethyl]benzamide (PubChem CID 107463107) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(3-ethyl-1-methylpyrazol-4-yl)-2-[2-(methylamino)ethyl]benzamide.

Molecular Properties

Compound NameN-(3-ethyl-1-methylpyrazol-4-yl)-2-[2-(methylamino)ethyl]benzamide
PubChem CID107463107
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-(3-ethyl-1-methylpyrazol-4-yl)-2-[2-(methylamino)ethyl]benzamide
SMILESCCc1nn(C)cc1NC(=O)c1ccccc1CCNC
InChIInChI=1S/C16H22N4O/c1-4-14-15(11-20(3)19-14)18-16(21)13-8-6-5-7-12(13)9-10-17-2/h5-8,11,17H,4,9-10H2,1-3H3,(H,18,21)
InChIKeyHSYILIKMPSXDOI-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethyl-1-methylpyrazol-4-yl)-2-iodobenzamide
CID 113349963
2-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-oxoethyl]benzoic acid
CID 107462256
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide
CID 107461918
3-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide
CID 100703491
3-amino-2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide
CID 107461878
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-fluorobenzamide
CID 107463012
3-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-fluorobenzamide
CID 106548195
2-[2-(methylamino)ethyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 104547712
3-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl]-2-methoxybenzoic acid
CID 166289655
5-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide
CID 103909989
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-nitrobenzamide
CID 103910051
N-(2-carbamothioylphenyl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810468

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-1-methylpyrazol-4-yl)-2-[2-(methylamino)ethyl]benzamide?
The IUPAC name of N-(3-ethyl-1-methylpyrazol-4-yl)-2-[2-(methylamino)ethyl]benzamide (CID 107463107) is N-(3-ethyl-1-methylpyrazol-4-yl)-2-[2-(methylamino)ethyl]benzamide.
What is the SMILES notation for N-(3-ethyl-1-methylpyrazol-4-yl)-2-[2-(methylamino)ethyl]benzamide?
The canonical SMILES for N-(3-ethyl-1-methylpyrazol-4-yl)-2-[2-(methylamino)ethyl]benzamide is CCc1nn(C)cc1NC(=O)c1ccccc1CCNC.
What is the InChIKey of N-(3-ethyl-1-methylpyrazol-4-yl)-2-[2-(methylamino)ethyl]benzamide?
The InChIKey is HSYILIKMPSXDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-14-15(11-20(3)19-14)18-16(21)13-8-6-5-7-12(13)9-10-17-2/h5-8,11,17H,4,9-10H2,1-3H3,(H,18,21).
What are the key properties of N-(3-ethyl-1-methylpyrazol-4-yl)-2-[2-(methylamino)ethyl]benzamide?
N-(3-ethyl-1-methylpyrazol-4-yl)-2-[2-(methylamino)ethyl]benzamide has a molecular weight of 286.38 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-1-methylpyrazol-4-yl)-2-[2-(methylamino)ethyl]benzamide is sourced from PubChem (CID 107463107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).