2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-(2-methoxyethyl)-N-methylbenzamide

C17H24N4O2 — CID 110121793

IUPAC2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-(2-methoxyethyl)-N-methylbenzamide
SMILESCOCCN(C)C(=O)c1ccccc1-n1cc(CN(C)C)cn1
InChIInChI=1S/C17H24N4O2/c1-19(2)12-14-11-18-21(13-14)16-8-6-5-7-15(16)17(22)20(3)9-10-23-4/h5-8,11,13H,9-10,12H2,1-4H3
InChIKeyFUYHUBJDUZYGJE-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.65
Rot. Bonds7

About 2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-(2-methoxyethyl)-N-methylbenzamide

2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-(2-methoxyethyl)-N-methylbenzamide (PubChem CID 110121793) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-(2-methoxyethyl)-N-methylbenzamide.

Molecular Properties

Compound Name2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-(2-methoxyethyl)-N-methylbenzamide
PubChem CID110121793
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-(2-methoxyethyl)-N-methylbenzamide
SMILESCOCCN(C)C(=O)c1ccccc1-n1cc(CN(C)C)cn1
InChIInChI=1S/C17H24N4O2/c1-19(2)12-14-11-18-21(13-14)16-8-6-5-7-15(16)17(22)20(3)9-10-23-4/h5-8,11,13H,9-10,12H2,1-4H3
InChIKeyFUYHUBJDUZYGJE-UHFFFAOYSA-N
XLogP1.65
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-propan-2-ylbenzamide
CID 110121736
N-(2-acetamidoethyl)-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]benzamide
CID 110121819
N-[(2-chlorophenyl)methyl]-2-[4-[(dimethylamino)methyl]pyrazol-1-yl]benzamide
CID 110121689
2-[2-methoxyethyl(methyl)carbamoyl]benzoic acid
CID 61041287
2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-[3-(2-methylimidazol-1-yl)propyl]benzamide
CID 110121807
2-[4-(acetamidomethyl)pyrazol-1-yl]-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 110121786
2-hydroxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 24551539
3-[[1-(methoxymethyl)cyclopentyl]methyl]-1-methyl-1-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]urea
CID 122566068
4-(methoxymethyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8950596
N-(2-methoxyethyl)-N-methyl-2-(propan-2-ylamino)benzamide
CID 63108038
N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 17449715
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 35369573

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-(2-methoxyethyl)-N-methylbenzamide?
The IUPAC name of 2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-(2-methoxyethyl)-N-methylbenzamide (CID 110121793) is 2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-(2-methoxyethyl)-N-methylbenzamide.
What is the SMILES notation for 2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-(2-methoxyethyl)-N-methylbenzamide?
The canonical SMILES for 2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-(2-methoxyethyl)-N-methylbenzamide is COCCN(C)C(=O)c1ccccc1-n1cc(CN(C)C)cn1.
What is the InChIKey of 2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-(2-methoxyethyl)-N-methylbenzamide?
The InChIKey is FUYHUBJDUZYGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-19(2)12-14-11-18-21(13-14)16-8-6-5-7-15(16)17(22)20(3)9-10-23-4/h5-8,11,13H,9-10,12H2,1-4H3.
What are the key properties of 2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-(2-methoxyethyl)-N-methylbenzamide?
2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-(2-methoxyethyl)-N-methylbenzamide has a molecular weight of 316.41 g/mol, XLogP of 1.65, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(dimethylamino)methyl]pyrazol-1-yl]-N-(2-methoxyethyl)-N-methylbenzamide is sourced from PubChem (CID 110121793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).