3-(dimethylamino)-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]benzamide

C18H20N4OS — CID 71797395

IUPAC3-(dimethylamino)-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]benzamide
SMILESCN(C)c1cccc(C(=O)NCc2cc(-c3cccs3)n(C)n2)c1
InChIInChI=1S/C18H20N4OS/c1-21(2)15-7-4-6-13(10-15)18(23)19-12-14-11-16(22(3)20-14)17-8-5-9-24-17/h4-11H,12H2,1-3H3,(H,19,23)
InChIKeyVJQRXKFFMJDFGQ-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.14
Rot. Bonds5

About 3-(dimethylamino)-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]benzamide

3-(dimethylamino)-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]benzamide (PubChem CID 71797395) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]benzamide
PubChem CID71797395
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name3-(dimethylamino)-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]benzamide
SMILESCN(C)c1cccc(C(=O)NCc2cc(-c3cccs3)n(C)n2)c1
InChIInChI=1S/C18H20N4OS/c1-21(2)15-7-4-6-13(10-15)18(23)19-12-14-11-16(22(3)20-14)17-8-5-9-24-17/h4-11H,12H2,1-3H3,(H,19,23)
InChIKeyVJQRXKFFMJDFGQ-UHFFFAOYSA-N
XLogP3.14
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]thiophene-2-carboxamide
CID 71797381
4-methyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]thiadiazole-5-carboxamide
CID 71797383
N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-9H-xanthene-9-carboxamide
CID 71797426
3-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47375354
3-(dimethylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 110444418
N'-[3-(dimethylamino)benzoyl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide
CID 78811000
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(trifluoromethyl)benzamide
CID 90555037
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]pyridine-3-carboxamide
CID 90554952
3-chloro-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]benzamide
CID 71797298
3-(dimethylamino)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107231911
3-(dimethylamino)-N-[[3-(2-methoxyethyl)-4-oxophthalazin-1-yl]methyl]benzamide
CID 121048691
N-butyl-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide
CID 110335994

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]benzamide (CID 71797395) is 3-(dimethylamino)-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]benzamide is CN(C)c1cccc(C(=O)NCc2cc(-c3cccs3)n(C)n2)c1.
What is the InChIKey of 3-(dimethylamino)-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]benzamide?
The InChIKey is VJQRXKFFMJDFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-21(2)15-7-4-6-13(10-15)18(23)19-12-14-11-16(22(3)20-14)17-8-5-9-24-17/h4-11H,12H2,1-3H3,(H,19,23).
What are the key properties of 3-(dimethylamino)-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]benzamide?
3-(dimethylamino)-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]benzamide has a molecular weight of 340.45 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 71797395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).