5-(2,5-dimethylthiophen-3-yl)-1H-pyrazole

C9H10N2S — CID 3818016

IUPAC5-(2,5-dimethylthiophen-3-yl)-1H-pyrazole
SMILESCc1cc(-c2ccn[nH]2)c(C)s1
InChIInChI=1S/C9H10N2S/c1-6-5-8(7(2)12-6)9-3-4-10-11-9/h3-5H,1-2H3,(H,10,11)
InChIKeyUIVURMHHAGJYAY-UHFFFAOYSA-N
MW178.26 g/mol
LogP2.76
Rot. Bonds1

About 5-(2,5-dimethylthiophen-3-yl)-1H-pyrazole

5-(2,5-dimethylthiophen-3-yl)-1H-pyrazole (PubChem CID 3818016) has the molecular formula C9H10N2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 5-(2,5-dimethylthiophen-3-yl)-1H-pyrazole.

Molecular Properties

Compound Name5-(2,5-dimethylthiophen-3-yl)-1H-pyrazole
PubChem CID3818016
Molecular FormulaC9H10N2S
Molecular Weight178.26 g/mol
Exact Mass178.06
IUPAC Name5-(2,5-dimethylthiophen-3-yl)-1H-pyrazole
SMILESCc1cc(-c2ccn[nH]2)c(C)s1
InChIInChI=1S/C9H10N2S/c1-6-5-8(7(2)12-6)9-3-4-10-11-9/h3-5H,1-2H3,(H,10,11)
InChIKeyUIVURMHHAGJYAY-UHFFFAOYSA-N
XLogP2.76
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylthiophen-3-yl)-1H-pyrazole?
The IUPAC name of 5-(2,5-dimethylthiophen-3-yl)-1H-pyrazole (CID 3818016) is 5-(2,5-dimethylthiophen-3-yl)-1H-pyrazole.
What is the SMILES notation for 5-(2,5-dimethylthiophen-3-yl)-1H-pyrazole?
The canonical SMILES for 5-(2,5-dimethylthiophen-3-yl)-1H-pyrazole is Cc1cc(-c2ccn[nH]2)c(C)s1.
What is the InChIKey of 5-(2,5-dimethylthiophen-3-yl)-1H-pyrazole?
The InChIKey is UIVURMHHAGJYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S/c1-6-5-8(7(2)12-6)9-3-4-10-11-9/h3-5H,1-2H3,(H,10,11).
What are the key properties of 5-(2,5-dimethylthiophen-3-yl)-1H-pyrazole?
5-(2,5-dimethylthiophen-3-yl)-1H-pyrazole has a molecular weight of 178.26 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylthiophen-3-yl)-1H-pyrazole is sourced from PubChem (CID 3818016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).