5-(1H-pyrazol-5-ylmethylsulfanylmethyl)-1H-pyrazole

C8H10N4S — CID 18736779

IUPAC5-(1H-pyrazol-5-ylmethylsulfanylmethyl)-1H-pyrazole
SMILESc1cc(CSCc2ccn[nH]2)[nH]n1
InChIInChI=1S/C8H10N4S/c1-3-9-11-7(1)5-13-6-8-2-4-10-12-8/h1-4H,5-6H2,(H,9,11)(H,10,12)
InChIKeyYSPSXFBXAZXBJN-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.57
Rot. Bonds4

About 5-(1H-pyrazol-5-ylmethylsulfanylmethyl)-1H-pyrazole

5-(1H-pyrazol-5-ylmethylsulfanylmethyl)-1H-pyrazole (PubChem CID 18736779) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is 5-(1H-pyrazol-5-ylmethylsulfanylmethyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(1H-pyrazol-5-ylmethylsulfanylmethyl)-1H-pyrazole
PubChem CID18736779
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC Name5-(1H-pyrazol-5-ylmethylsulfanylmethyl)-1H-pyrazole
SMILESc1cc(CSCc2ccn[nH]2)[nH]n1
InChIInChI=1S/C8H10N4S/c1-3-9-11-7(1)5-13-6-8-2-4-10-12-8/h1-4H,5-6H2,(H,9,11)(H,10,12)
InChIKeyYSPSXFBXAZXBJN-UHFFFAOYSA-N
XLogP1.57
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-pyrazol-5-ylmethylsulfanylmethyl)-1H-pyrazole?
The IUPAC name of 5-(1H-pyrazol-5-ylmethylsulfanylmethyl)-1H-pyrazole (CID 18736779) is 5-(1H-pyrazol-5-ylmethylsulfanylmethyl)-1H-pyrazole.
What is the SMILES notation for 5-(1H-pyrazol-5-ylmethylsulfanylmethyl)-1H-pyrazole?
The canonical SMILES for 5-(1H-pyrazol-5-ylmethylsulfanylmethyl)-1H-pyrazole is c1cc(CSCc2ccn[nH]2)[nH]n1.
What is the InChIKey of 5-(1H-pyrazol-5-ylmethylsulfanylmethyl)-1H-pyrazole?
The InChIKey is YSPSXFBXAZXBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S/c1-3-9-11-7(1)5-13-6-8-2-4-10-12-8/h1-4H,5-6H2,(H,9,11)(H,10,12).
What are the key properties of 5-(1H-pyrazol-5-ylmethylsulfanylmethyl)-1H-pyrazole?
5-(1H-pyrazol-5-ylmethylsulfanylmethyl)-1H-pyrazole has a molecular weight of 194.26 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-pyrazol-5-ylmethylsulfanylmethyl)-1H-pyrazole is sourced from PubChem (CID 18736779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).