1-thiophen-2-ylpyrazole

C7H6N2S — CID 12554484

IUPAC1-thiophen-2-ylpyrazole
SMILESc1csc(-n2cccn2)c1
InChIInChI=1S/C7H6N2S/c1-3-7(10-6-1)9-5-2-4-8-9/h1-6H
InChIKeyRUBUTKBLCAVMRM-UHFFFAOYSA-N
MW150.21 g/mol
LogP1.93
Rot. Bonds1

About 1-thiophen-2-ylpyrazole

1-thiophen-2-ylpyrazole (PubChem CID 12554484) has the molecular formula C7H6N2S and a molecular weight of 150.21 g/mol. Its IUPAC name is 1-thiophen-2-ylpyrazole.

Molecular Properties

Compound Name1-thiophen-2-ylpyrazole
PubChem CID12554484
Molecular FormulaC7H6N2S
Molecular Weight150.21 g/mol
Exact Mass150.03
IUPAC Name1-thiophen-2-ylpyrazole
SMILESc1csc(-n2cccn2)c1
InChIInChI=1S/C7H6N2S/c1-3-7(10-6-1)9-5-2-4-8-9/h1-6H
InChIKeyRUBUTKBLCAVMRM-UHFFFAOYSA-N
XLogP1.93
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.21
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-thienyl)pyrazole
CID 11480538
4-Chloro-1-thiophen-2-ylpyrazole
CID 91477161
1-Thiophen-3-yl-5-(trifluoromethyl)pyrazole
CID 90959824
1-Thiophen-3-yl-3-(trifluoromethyl)pyrazole
CID 90985717
1-Thiophen-2-yl-5-(trifluoromethyl)pyrazole
CID 91206888
4-Fluoro-1-thiophen-2-ylpyrazole
CID 91802495
5-(Difluoromethyl)-1-thiophen-3-ylpyrazole
CID 173589750
1-(Thiophen-3-ylmethyl)-3-(trifluoromethyl)pyrazole
CID 116621382
1-Thiophen-2-yl-3-(trifluoromethyl)pyrazole
CID 153727318
Thiophene;1-(trifluoromethyl)pyrazole
CID 158116758
1-{5-nitro-2-thienyl}-1H-pyrazole
CID 901424
N-methyl-3-(1H-pyrazol-1-yl)-N-(3-thienylmethyl)propan-1-amine
CID 50967142

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-ylpyrazole?
The IUPAC name of 1-thiophen-2-ylpyrazole (CID 12554484) is 1-thiophen-2-ylpyrazole.
What is the SMILES notation for 1-thiophen-2-ylpyrazole?
The canonical SMILES for 1-thiophen-2-ylpyrazole is c1csc(-n2cccn2)c1.
What is the InChIKey of 1-thiophen-2-ylpyrazole?
The InChIKey is RUBUTKBLCAVMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2S/c1-3-7(10-6-1)9-5-2-4-8-9/h1-6H.
What are the key properties of 1-thiophen-2-ylpyrazole?
1-thiophen-2-ylpyrazole has a molecular weight of 150.21 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-ylpyrazole is sourced from PubChem (CID 12554484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).