3-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-N,N-dimethylbenzamide

C18H26N4O — CID 75433082

IUPAC3-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-N,N-dimethylbenzamide
SMILESCCc1nn(C)c(CC)c1CNc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C18H26N4O/c1-6-16-15(17(7-2)22(5)20-16)12-19-14-10-8-9-13(11-14)18(23)21(3)4/h8-11,19H,6-7,12H2,1-5H3
InChIKeyWIYPTPSFISNQOZ-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.86
Rot. Bonds6

About 3-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-N,N-dimethylbenzamide

3-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-N,N-dimethylbenzamide (PubChem CID 75433082) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 3-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-N,N-dimethylbenzamide
PubChem CID75433082
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name3-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-N,N-dimethylbenzamide
SMILESCCc1nn(C)c(CC)c1CNc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C18H26N4O/c1-6-16-15(17(7-2)22(5)20-16)12-19-14-10-8-9-13(11-14)18(23)21(3)4/h8-11,19H,6-7,12H2,1-5H3
InChIKeyWIYPTPSFISNQOZ-UHFFFAOYSA-N
XLogP2.86
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-3-[(1-methylpyrrol-2-yl)methylamino]benzamide
CID 55039467
N,N-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide
CID 43725385
N,N-dimethyl-3-(pyridin-2-ylmethylamino)benzamide
CID 43725442
1-N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115377560
N,N-dimethyl-3-[(6-methyl-3-pyridinyl)methylamino]benzamide
CID 104756583
3-[(4,5-dibromothiophen-2-yl)methylamino]-N,N-dimethylbenzamide
CID 102833214
3-[(2,5-dimethylphenyl)methylamino]-N,N-dimethylbenzamide
CID 60728339
3-[(5-bromothiophen-2-yl)methylamino]-N,N-dimethylbenzamide
CID 43725444
3-[(5-chloro-2-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide
CID 43725482
3-[(3-fluoro-4-hydroxyphenyl)methylamino]-N,N-dimethylbenzamide
CID 107685516
3-[[2-(N-ethylanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 37257112
N,N-dimethyl-3-(methylamino)benzamide;ethane
CID 91408702

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-N,N-dimethylbenzamide (CID 75433082) is 3-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-N,N-dimethylbenzamide is CCc1nn(C)c(CC)c1CNc1cccc(C(=O)N(C)C)c1.
What is the InChIKey of 3-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-N,N-dimethylbenzamide?
The InChIKey is WIYPTPSFISNQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-6-16-15(17(7-2)22(5)20-16)12-19-14-10-8-9-13(11-14)18(23)21(3)4/h8-11,19H,6-7,12H2,1-5H3.
What are the key properties of 3-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-N,N-dimethylbenzamide?
3-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-N,N-dimethylbenzamide has a molecular weight of 314.43 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 75433082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).