5-methyl-1-(5-nitrothiophen-2-yl)pyrazole

C8H7N3O2S — CID 12778221

IUPAC5-methyl-1-(5-nitrothiophen-2-yl)pyrazole
SMILESCc1ccnn1-c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C8H7N3O2S/c1-6-4-5-9-10(6)7-2-3-8(14-7)11(12)13/h2-5H,1H3
InChIKeyCERJBOUGCVIFMD-UHFFFAOYSA-N
MW209.23 g/mol
LogP2.15
Rot. Bonds2

About 5-methyl-1-(5-nitrothiophen-2-yl)pyrazole

5-methyl-1-(5-nitrothiophen-2-yl)pyrazole (PubChem CID 12778221) has the molecular formula C8H7N3O2S and a molecular weight of 209.23 g/mol. Its IUPAC name is 5-methyl-1-(5-nitrothiophen-2-yl)pyrazole.

Molecular Properties

Compound Name5-methyl-1-(5-nitrothiophen-2-yl)pyrazole
PubChem CID12778221
Molecular FormulaC8H7N3O2S
Molecular Weight209.23 g/mol
Exact Mass209.03
IUPAC Name5-methyl-1-(5-nitrothiophen-2-yl)pyrazole
SMILESCc1ccnn1-c1ccc([N+](=O)[O-])s1
InChIInChI=1S/C8H7N3O2S/c1-6-4-5-9-10(6)7-2-3-8(14-7)11(12)13/h2-5H,1H3
InChIKeyCERJBOUGCVIFMD-UHFFFAOYSA-N
XLogP2.15
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

1-Thiophen-2-yl-5-(trifluoromethyl)pyrazole
CID 91206888
1-Thiophen-2-yl-3-(trifluoromethyl)pyrazole
CID 153727318
1-{5-nitro-2-thienyl}-1H-pyrazole
CID 901424
1-(3-nitrothiophen-2-yl)-1H-pyrazole
CID 12554486
4-iodo-5-methyl-1-(2-thienyl)-1H-pyrazole
CID 67207269
5-methyl-1-(2-thienyl)-1H-pyrazole
CID 67207277
1-(5-iodo-2-thienyl)-5-methyl-1H-pyrazole
CID 67207339
3-methyl-1-(2-thienyl)-1H-pyrazole
CID 67207650
4-methyl-1-(3-nitrothiophen-2-yl)-1H-pyrazole
CID 68787041
5-Methyl-1-thiophen-3-ylpyrazole
CID 91034202
1-(5-Chlorothiophen-2-yl)-5-methylpyrazole
CID 123545274
3,5-Dimethyl-1-(5-nitrothiophen-2-yl)pyrazole
CID 12778222

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(5-nitrothiophen-2-yl)pyrazole?
The IUPAC name of 5-methyl-1-(5-nitrothiophen-2-yl)pyrazole (CID 12778221) is 5-methyl-1-(5-nitrothiophen-2-yl)pyrazole.
What is the SMILES notation for 5-methyl-1-(5-nitrothiophen-2-yl)pyrazole?
The canonical SMILES for 5-methyl-1-(5-nitrothiophen-2-yl)pyrazole is Cc1ccnn1-c1ccc([N+](=O)[O-])s1.
What is the InChIKey of 5-methyl-1-(5-nitrothiophen-2-yl)pyrazole?
The InChIKey is CERJBOUGCVIFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2S/c1-6-4-5-9-10(6)7-2-3-8(14-7)11(12)13/h2-5H,1H3.
What are the key properties of 5-methyl-1-(5-nitrothiophen-2-yl)pyrazole?
5-methyl-1-(5-nitrothiophen-2-yl)pyrazole has a molecular weight of 209.23 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(5-nitrothiophen-2-yl)pyrazole is sourced from PubChem (CID 12778221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).