N-[2-(dimethylamino)-2-oxoethyl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethylbenzamide

C19H26N4O2 — CID 51102355

IUPACN-[2-(dimethylamino)-2-oxoethyl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethylbenzamide
SMILESCCN(CC(=O)N(C)C)C(=O)c1cccc(Cn2nc(C)cc2C)c1
InChIInChI=1S/C19H26N4O2/c1-6-22(13-18(24)21(4)5)19(25)17-9-7-8-16(11-17)12-23-15(3)10-14(2)20-23/h7-11H,6,12-13H2,1-5H3
InChIKeyRMCVNODHNOHHFW-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.10
Rot. Bonds6

About N-[2-(dimethylamino)-2-oxoethyl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethylbenzamide

N-[2-(dimethylamino)-2-oxoethyl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethylbenzamide (PubChem CID 51102355) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethylbenzamide
PubChem CID51102355
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethylbenzamide
SMILESCCN(CC(=O)N(C)C)C(=O)c1cccc(Cn2nc(C)cc2C)c1
InChIInChI=1S/C19H26N4O2/c1-6-22(13-18(24)21(4)5)19(25)17-9-7-8-16(11-17)12-23-15(3)10-14(2)20-23/h7-11H,6,12-13H2,1-5H3
InChIKeyRMCVNODHNOHHFW-UHFFFAOYSA-N
XLogP2.10
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,5-dimethylpyrazol-1-yl)methyl]-N,N-bis(2-methoxyethyl)benzamide
CID 56822003
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(3-hydroxybutyl)-N-methylbenzamide
CID 111695849
N-(2-aminoethyl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(2-phenylethyl)benzamide;hydrochloride
CID 120884493
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methylbenzamide
CID 19456365
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19454310
N-(3-amino-2,2-dimethylpropyl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methylbenzamide;hydrochloride
CID 119654017
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 57368832
[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-morpholin-4-ylmethanone
CID 35324290
N'-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-2-hydroxybenzohydrazide
CID 51128117
ethyl 1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]piperidine-4-carboxylate
CID 39891416
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 111331403
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 51098490

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethylbenzamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethylbenzamide (CID 51102355) is N-[2-(dimethylamino)-2-oxoethyl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethylbenzamide is CCN(CC(=O)N(C)C)C(=O)c1cccc(Cn2nc(C)cc2C)c1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethylbenzamide?
The InChIKey is RMCVNODHNOHHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-6-22(13-18(24)21(4)5)19(25)17-9-7-8-16(11-17)12-23-15(3)10-14(2)20-23/h7-11H,6,12-13H2,1-5H3.
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethylbenzamide?
N-[2-(dimethylamino)-2-oxoethyl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethylbenzamide has a molecular weight of 342.44 g/mol, XLogP of 2.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-ethylbenzamide is sourced from PubChem (CID 51102355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).