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

C16H15N3O2S — CID 8911601

IUPAC4-methoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccnn2Cc2cccs2)cc1
InChIInChI=1S/C16H15N3O2S/c1-21-13-6-4-12(5-7-13)16(20)18-15-8-9-17-19(15)11-14-3-2-10-22-14/h2-10H,11H2,1H3,(H,18,20)
InChIKeyHNYJFMGPQMHBST-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.25
Rot. Bonds5

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

4-methoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide (PubChem CID 8911601) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-methoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
PubChem CID8911601
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name4-methoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccnn2Cc2cccs2)cc1
InChIInChI=1S/C16H15N3O2S/c1-21-13-6-4-12(5-7-13)16(20)18-15-8-9-17-19(15)11-14-3-2-10-22-14/h2-10H,11H2,1H3,(H,18,20)
InChIKeyHNYJFMGPQMHBST-UHFFFAOYSA-N
XLogP3.25
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 8911642
4-propoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 39834768
3-(4-methoxyphenyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]propanamide
CID 8911494
3-methoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]naphthalene-2-carboxamide
CID 17401208
4-nitro-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 8911576
3-bromo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 8911637
N-[2-[(4-methoxyphenyl)methyl]pyrazol-3-yl]-4-(2-methylpropoxy)benzamide
CID 35579716
4-chloro-3-(dimethylsulfamoyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 2485473
2-amino-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 121209392
2-(4-bromophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 35673635
2-methyl-3-nitro-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 17409979
5-methyl-2-phenyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]triazole-4-carboxamide
CID 17409981

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide?
The IUPAC name of 4-methoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide (CID 8911601) is 4-methoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide is COc1ccc(C(=O)Nc2ccnn2Cc2cccs2)cc1.
What is the InChIKey of 4-methoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide?
The InChIKey is HNYJFMGPQMHBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-21-13-6-4-12(5-7-13)16(20)18-15-8-9-17-19(15)11-14-3-2-10-22-14/h2-10H,11H2,1H3,(H,18,20).
What are the key properties of 4-methoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide?
4-methoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide has a molecular weight of 313.38 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide is sourced from PubChem (CID 8911601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).