4-(3,5-dimethylpyrazol-1-yl)-N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]benzamide

C20H23N3O2S — CID 70738894

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NCC(CO)Cc3cccs3)cc2)n1
InChIInChI=1S/C20H23N3O2S/c1-14-10-15(2)23(22-14)18-7-5-17(6-8-18)20(25)21-12-16(13-24)11-19-4-3-9-26-19/h3-10,16,24H,11-13H2,1-2H3,(H,21,25)
InChIKeyGWFRMVHLAJUTGO-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.13
Rot. Bonds7

About 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]benzamide

4-(3,5-dimethylpyrazol-1-yl)-N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]benzamide (PubChem CID 70738894) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]benzamide
PubChem CID70738894
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NCC(CO)Cc3cccs3)cc2)n1
InChIInChI=1S/C20H23N3O2S/c1-14-10-15(2)23(22-14)18-7-5-17(6-8-18)20(25)21-12-16(13-24)11-19-4-3-9-26-19/h3-10,16,24H,11-13H2,1-2H3,(H,21,25)
InChIKeyGWFRMVHLAJUTGO-UHFFFAOYSA-N
XLogP3.13
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]benzamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]benzamide (CID 70738894) is 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]benzamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]benzamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]benzamide is Cc1cc(C)n(-c2ccc(C(=O)NCC(CO)Cc3cccs3)cc2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]benzamide?
The InChIKey is GWFRMVHLAJUTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-14-10-15(2)23(22-14)18-7-5-17(6-8-18)20(25)21-12-16(13-24)11-19-4-3-9-26-19/h3-10,16,24H,11-13H2,1-2H3,(H,21,25).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]benzamide?
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]benzamide has a molecular weight of 369.49 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-[2-(hydroxymethyl)-3-thiophen-2-ylpropyl]benzamide is sourced from PubChem (CID 70738894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).