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

C6H6N4 — CID 584077

IUPAC5-(1H-pyrazol-5-yl)-1H-pyrazole
SMILESc1cc(-c2ccn[nH]2)[nH]n1
InChIInChI=1S/C6H6N4/c1-3-7-9-5(1)6-2-4-8-10-6/h1-4H,(H,7,9)(H,8,10)
InChIKeyKFSUCTRGHQKXSV-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.80
Rot. Bonds1

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

5-(1H-pyrazol-5-yl)-1H-pyrazole (PubChem CID 584077) has the molecular formula C6H6N4 and a molecular weight of 134.14 g/mol. Its IUPAC name is 5-(1H-pyrazol-5-yl)-1H-pyrazole.

Molecular Properties

Compound Name5-(1H-pyrazol-5-yl)-1H-pyrazole
PubChem CID584077
Molecular FormulaC6H6N4
Molecular Weight134.14 g/mol
Exact Mass134.06
IUPAC Name5-(1H-pyrazol-5-yl)-1H-pyrazole
SMILESc1cc(-c2ccn[nH]2)[nH]n1
InChIInChI=1S/C6H6N4/c1-3-7-9-5(1)6-2-4-8-10-6/h1-4H,(H,7,9)(H,8,10)
InChIKeyKFSUCTRGHQKXSV-UHFFFAOYSA-N
XLogP0.80
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-pyrazol-5-yl)-1H-pyrazole?
The IUPAC name of 5-(1H-pyrazol-5-yl)-1H-pyrazole (CID 584077) is 5-(1H-pyrazol-5-yl)-1H-pyrazole.
What is the SMILES notation for 5-(1H-pyrazol-5-yl)-1H-pyrazole?
The canonical SMILES for 5-(1H-pyrazol-5-yl)-1H-pyrazole is c1cc(-c2ccn[nH]2)[nH]n1.
What is the InChIKey of 5-(1H-pyrazol-5-yl)-1H-pyrazole?
The InChIKey is KFSUCTRGHQKXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4/c1-3-7-9-5(1)6-2-4-8-10-6/h1-4H,(H,7,9)(H,8,10).
What are the key properties of 5-(1H-pyrazol-5-yl)-1H-pyrazole?
5-(1H-pyrazol-5-yl)-1H-pyrazole has a molecular weight of 134.14 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-pyrazol-5-yl)-1H-pyrazole is sourced from PubChem (CID 584077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).