1-[pyrazol-1-yl(thiophen-2-yl)methyl]pyrazole

C11H10N4S — CID 14116633

IUPAC1-[pyrazol-1-yl(thiophen-2-yl)methyl]pyrazole
SMILESc1csc(C(n2cccn2)n2cccn2)c1
InChIInChI=1S/C11H10N4S/c1-4-10(16-9-1)11(14-7-2-5-12-14)15-8-3-6-13-15/h1-9,11H
InChIKeyRIJXIXAALUOWQS-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.24
Rot. Bonds3

About 1-[pyrazol-1-yl(thiophen-2-yl)methyl]pyrazole

1-[pyrazol-1-yl(thiophen-2-yl)methyl]pyrazole (PubChem CID 14116633) has the molecular formula C11H10N4S and a molecular weight of 230.30 g/mol. Its IUPAC name is 1-[pyrazol-1-yl(thiophen-2-yl)methyl]pyrazole.

Molecular Properties

Compound Name1-[pyrazol-1-yl(thiophen-2-yl)methyl]pyrazole
PubChem CID14116633
Molecular FormulaC11H10N4S
Molecular Weight230.30 g/mol
Exact Mass230.06
IUPAC Name1-[pyrazol-1-yl(thiophen-2-yl)methyl]pyrazole
SMILESc1csc(C(n2cccn2)n2cccn2)c1
InChIInChI=1S/C11H10N4S/c1-4-10(16-9-1)11(14-7-2-5-12-14)15-8-3-6-13-15/h1-9,11H
InChIKeyRIJXIXAALUOWQS-UHFFFAOYSA-N
XLogP2.24
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[pyrazol-1-yl(thiophen-2-yl)methyl]pyrazole?
The IUPAC name of 1-[pyrazol-1-yl(thiophen-2-yl)methyl]pyrazole (CID 14116633) is 1-[pyrazol-1-yl(thiophen-2-yl)methyl]pyrazole.
What is the SMILES notation for 1-[pyrazol-1-yl(thiophen-2-yl)methyl]pyrazole?
The canonical SMILES for 1-[pyrazol-1-yl(thiophen-2-yl)methyl]pyrazole is c1csc(C(n2cccn2)n2cccn2)c1.
What is the InChIKey of 1-[pyrazol-1-yl(thiophen-2-yl)methyl]pyrazole?
The InChIKey is RIJXIXAALUOWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S/c1-4-10(16-9-1)11(14-7-2-5-12-14)15-8-3-6-13-15/h1-9,11H.
What are the key properties of 1-[pyrazol-1-yl(thiophen-2-yl)methyl]pyrazole?
1-[pyrazol-1-yl(thiophen-2-yl)methyl]pyrazole has a molecular weight of 230.30 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[pyrazol-1-yl(thiophen-2-yl)methyl]pyrazole is sourced from PubChem (CID 14116633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).