4-thiophen-2-yl-1H-pyrazole

C7H6N2S — CID 818922

IUPAC4-thiophen-2-yl-1H-pyrazole
SMILESc1csc(-c2cn[nH]c2)c1
InChIInChI=1S/C7H6N2S/c1-2-7(10-3-1)6-4-8-9-5-6/h1-5H,(H,8,9)
InChIKeyKSBRNWDGHQJMGT-UHFFFAOYSA-N
MW150.21 g/mol
LogP2.14
Rot. Bonds1

About 4-thiophen-2-yl-1H-pyrazole

4-thiophen-2-yl-1H-pyrazole (PubChem CID 818922) has the molecular formula C7H6N2S and a molecular weight of 150.21 g/mol. Its IUPAC name is 4-thiophen-2-yl-1H-pyrazole.

Molecular Properties

Compound Name4-thiophen-2-yl-1H-pyrazole
PubChem CID818922
Molecular FormulaC7H6N2S
Molecular Weight150.21 g/mol
Exact Mass150.03
IUPAC Name4-thiophen-2-yl-1H-pyrazole
SMILESc1csc(-c2cn[nH]c2)c1
InChIInChI=1S/C7H6N2S/c1-2-7(10-3-1)6-4-8-9-5-6/h1-5H,(H,8,9)
InChIKeyKSBRNWDGHQJMGT-UHFFFAOYSA-N
XLogP2.14
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.21
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-yl-1H-pyrazole?
The IUPAC name of 4-thiophen-2-yl-1H-pyrazole (CID 818922) is 4-thiophen-2-yl-1H-pyrazole.
What is the SMILES notation for 4-thiophen-2-yl-1H-pyrazole?
The canonical SMILES for 4-thiophen-2-yl-1H-pyrazole is c1csc(-c2cn[nH]c2)c1.
What is the InChIKey of 4-thiophen-2-yl-1H-pyrazole?
The InChIKey is KSBRNWDGHQJMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2S/c1-2-7(10-3-1)6-4-8-9-5-6/h1-5H,(H,8,9).
What are the key properties of 4-thiophen-2-yl-1H-pyrazole?
4-thiophen-2-yl-1H-pyrazole has a molecular weight of 150.21 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-yl-1H-pyrazole is sourced from PubChem (CID 818922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).