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

C15H12N4O3S — CID 8911576

IUPAC4-nitro-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccnn1Cc1cccs1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H12N4O3S/c20-15(11-3-5-12(6-4-11)19(21)22)17-14-7-8-16-18(14)10-13-2-1-9-23-13/h1-9H,10H2,(H,17,20)
InChIKeyOQDAHEAZBGHFHD-UHFFFAOYSA-N
MW328.35 g/mol
LogP3.15
Rot. Bonds5

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

4-nitro-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide (PubChem CID 8911576) has the molecular formula C15H12N4O3S and a molecular weight of 328.35 g/mol. Its IUPAC name is 4-nitro-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-nitro-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
PubChem CID8911576
Molecular FormulaC15H12N4O3S
Molecular Weight328.35 g/mol
Exact Mass328.06
IUPAC Name4-nitro-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccnn1Cc1cccs1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H12N4O3S/c20-15(11-3-5-12(6-4-11)19(21)22)17-14-7-8-16-18(14)10-13-2-1-9-23-13/h1-9H,10H2,(H,17,20)
InChIKeyOQDAHEAZBGHFHD-UHFFFAOYSA-N
XLogP3.15
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 8911642
4-methoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 8911601
2-methyl-3-nitro-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 17409979
4-propoxy-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 39834768
3-bromo-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 8911637
N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]cyclobutanecarboxamide
CID 8911676
4-chloro-3-(dimethylsulfamoyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 2485473
4-nitro-N-[5-(thiophen-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 51199280
2-(4-chlorophenyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 8911690
6-methyl-N-(4-nitrophenyl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 31408232
5-methyl-2-phenyl-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]triazole-4-carboxamide
CID 17409981
N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]-3-nitrobenzamide
CID 55452323

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide?
The IUPAC name of 4-nitro-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide (CID 8911576) is 4-nitro-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-nitro-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide?
The canonical SMILES for 4-nitro-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide is O=C(Nc1ccnn1Cc1cccs1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitro-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide?
The InChIKey is OQDAHEAZBGHFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3S/c20-15(11-3-5-12(6-4-11)19(21)22)17-14-7-8-16-18(14)10-13-2-1-9-23-13/h1-9H,10H2,(H,17,20).
What are the key properties of 4-nitro-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide?
4-nitro-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide has a molecular weight of 328.35 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide is sourced from PubChem (CID 8911576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).