N,N-dimethyl-3-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]benzamide

C18H26N4O — CID 86808137

IUPACN,N-dimethyl-3-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]benzamide
SMILESCC(C)c1nn(C)cc1CNCc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C18H26N4O/c1-13(2)17-16(12-22(5)20-17)11-19-10-14-7-6-8-15(9-14)18(23)21(3)4/h6-9,12-13,19H,10-11H2,1-5H3
InChIKeyAWKPGCOKQIJRBL-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.54
Rot. Bonds6

About N,N-dimethyl-3-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]benzamide

N,N-dimethyl-3-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]benzamide (PubChem CID 86808137) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is N,N-dimethyl-3-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]benzamide
PubChem CID86808137
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC NameN,N-dimethyl-3-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]benzamide
SMILESCC(C)c1nn(C)cc1CNCc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C18H26N4O/c1-13(2)17-16(12-22(5)20-17)11-19-10-14-7-6-8-15(9-14)18(23)21(3)4/h6-9,12-13,19H,10-11H2,1-5H3
InChIKeyAWKPGCOKQIJRBL-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(methoxymethyl)phenyl]-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 60957183
3-[(2-imidazol-1-ylethylamino)methyl]-N,N-dimethylbenzamide
CID 139020115
N,N-dimethyl-3-(methylaminomethyl)benzamide
CID 83814364
3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N,N-dimethylbenzamide;hydrochloride
CID 119287449
N,N-dimethyl-3-(2-methylpropyl)benzamide
CID 59462491
4-[[[3-(difluoromethyl)-1-methylpyrazol-4-yl]methylamino]methyl]-2-methylbenzoic acid
CID 166275263
1-(1,3-dimethylpyrazol-4-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 112705302
N,N-dimethyl-3-[[(2-naphthalen-1-ylacetyl)amino]methyl]benzamide
CID 46424485
3-[(2-ethylanilino)methyl]-N,N-dimethylbenzamide
CID 84558207
N,N-dimethyl-3-(propan-2-yloxymethyl)benzamide
CID 140929179
3-[[1-(5-ethyl-1,3-thiazol-2-yl)ethylamino]methyl]-N,N-dimethylbenzamide
CID 75504863
3-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]phenol
CID 112549452

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]benzamide?
The IUPAC name of N,N-dimethyl-3-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]benzamide (CID 86808137) is N,N-dimethyl-3-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]benzamide?
The canonical SMILES for N,N-dimethyl-3-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]benzamide is CC(C)c1nn(C)cc1CNCc1cccc(C(=O)N(C)C)c1.
What is the InChIKey of N,N-dimethyl-3-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]benzamide?
The InChIKey is AWKPGCOKQIJRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-13(2)17-16(12-22(5)20-17)11-19-10-14-7-6-8-15(9-14)18(23)21(3)4/h6-9,12-13,19H,10-11H2,1-5H3.
What are the key properties of N,N-dimethyl-3-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]benzamide?
N,N-dimethyl-3-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]benzamide has a molecular weight of 314.43 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]benzamide is sourced from PubChem (CID 86808137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).