N-ethyl-3-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide

C17H24N4O2 — CID 51131337

IUPACN-ethyl-3-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide
SMILESCCNC(=O)c1cccc(CNCc2c(C)nn(C)c2OC)c1
InChIInChI=1S/C17H24N4O2/c1-5-19-16(22)14-8-6-7-13(9-14)10-18-11-15-12(2)20-21(3)17(15)23-4/h6-9,18H,5,10-11H2,1-4H3,(H,19,22)
InChIKeyMVKFSKMLBBTQSD-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.78
Rot. Bonds7

About N-ethyl-3-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide

N-ethyl-3-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide (PubChem CID 51131337) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-ethyl-3-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide.

Molecular Properties

Compound NameN-ethyl-3-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide
PubChem CID51131337
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC NameN-ethyl-3-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide
SMILESCCNC(=O)c1cccc(CNCc2c(C)nn(C)c2OC)c1
InChIInChI=1S/C17H24N4O2/c1-5-19-16(22)14-8-6-7-13(9-14)10-18-11-15-12(2)20-21(3)17(15)23-4/h6-9,18H,5,10-11H2,1-4H3,(H,19,22)
InChIKeyMVKFSKMLBBTQSD-UHFFFAOYSA-N
XLogP1.78
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-3-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide
CID 119111289
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[3-(pyrazol-1-ylmethyl)phenyl]methanamine
CID 51105192
N-[(2S)-butan-2-yl]-4-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide
CID 52537950
N-ethyl-3-[[[ethylamino-[(1,3,5-trimethylpyrazol-4-yl)methylamino]methylidene]amino]methyl]benzamide
CID 111950785
2-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenol
CID 115603366
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine
CID 51105163
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-nitrophenyl)methanamine
CID 115600780
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-phenoxy-4-pyridinyl)methanamine
CID 51104998
3-[[[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]methylamino]methyl]-N-propylbenzamide
CID 52623976
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 75484362
(2,6-dimethylmorpholin-4-yl)-[4-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]methanone
CID 119111636
2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]ethylurea
CID 113463419

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide?
The IUPAC name of N-ethyl-3-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide (CID 51131337) is N-ethyl-3-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide.
What is the SMILES notation for N-ethyl-3-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide?
The canonical SMILES for N-ethyl-3-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide is CCNC(=O)c1cccc(CNCc2c(C)nn(C)c2OC)c1.
What is the InChIKey of N-ethyl-3-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide?
The InChIKey is MVKFSKMLBBTQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-5-19-16(22)14-8-6-7-13(9-14)10-18-11-15-12(2)20-21(3)17(15)23-4/h6-9,18H,5,10-11H2,1-4H3,(H,19,22).
What are the key properties of N-ethyl-3-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide?
N-ethyl-3-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide has a molecular weight of 316.41 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide is sourced from PubChem (CID 51131337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).