4-methyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide

C16H15N3OS — CID 8911642

IUPAC4-methyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
SMILESCc1ccc(C(=O)Nc2ccnn2Cc2cccs2)cc1
InChIInChI=1S/C16H15N3OS/c1-12-4-6-13(7-5-12)16(20)18-15-8-9-17-19(15)11-14-3-2-10-21-14/h2-10H,11H2,1H3,(H,18,20)
InChIKeyXWTUEUDUTVCBEE-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.55
Rot. Bonds4

About 4-methyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide

4-methyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide (PubChem CID 8911642) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 4-methyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
PubChem CID8911642
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name4-methyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
SMILESCc1ccc(C(=O)Nc2ccnn2Cc2cccs2)cc1
InChIInChI=1S/C16H15N3OS/c1-12-4-6-13(7-5-12)16(20)18-15-8-9-17-19(15)11-14-3-2-10-21-14/h2-10H,11H2,1H3,(H,18,20)
InChIKeyXWTUEUDUTVCBEE-UHFFFAOYSA-N
XLogP3.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide?
The IUPAC name of 4-methyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide (CID 8911642) is 4-methyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide?
The canonical SMILES for 4-methyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide is Cc1ccc(C(=O)Nc2ccnn2Cc2cccs2)cc1.
What is the InChIKey of 4-methyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide?
The InChIKey is XWTUEUDUTVCBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-12-4-6-13(7-5-12)16(20)18-15-8-9-17-19(15)11-14-3-2-10-21-14/h2-10H,11H2,1H3,(H,18,20).
What are the key properties of 4-methyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide?
4-methyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide has a molecular weight of 297.38 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide is sourced from PubChem (CID 8911642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).