4-(1H-pyrazol-4-yl)-1H-pyrazole

C6H6N4 — CID 2422340

IUPAC4-(1H-pyrazol-4-yl)-1H-pyrazole
SMILESc1n[nH]cc1-c1cn[nH]c1
InChIInChI=1S/C6H6N4/c1-5(2-8-7-1)6-3-9-10-4-6/h1-4H,(H,7,8)(H,9,10)
InChIKeyYPYGFECUFVDWKB-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.80
Rot. Bonds1

About 4-(1H-pyrazol-4-yl)-1H-pyrazole

4-(1H-pyrazol-4-yl)-1H-pyrazole (PubChem CID 2422340) has the molecular formula C6H6N4 and a molecular weight of 134.14 g/mol. Its IUPAC name is 4-(1H-pyrazol-4-yl)-1H-pyrazole.

Molecular Properties

Compound Name4-(1H-pyrazol-4-yl)-1H-pyrazole
PubChem CID2422340
Molecular FormulaC6H6N4
Molecular Weight134.14 g/mol
Exact Mass134.06
IUPAC Name4-(1H-pyrazol-4-yl)-1H-pyrazole
SMILESc1n[nH]cc1-c1cn[nH]c1
InChIInChI=1S/C6H6N4/c1-5(2-8-7-1)6-3-9-10-4-6/h1-4H,(H,7,8)(H,9,10)
InChIKeyYPYGFECUFVDWKB-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 4-(1H-pyrazol-4-yl)-1H-pyrazole?
The IUPAC name of 4-(1H-pyrazol-4-yl)-1H-pyrazole (CID 2422340) is 4-(1H-pyrazol-4-yl)-1H-pyrazole.
What is the SMILES notation for 4-(1H-pyrazol-4-yl)-1H-pyrazole?
The canonical SMILES for 4-(1H-pyrazol-4-yl)-1H-pyrazole is c1n[nH]cc1-c1cn[nH]c1.
What is the InChIKey of 4-(1H-pyrazol-4-yl)-1H-pyrazole?
The InChIKey is YPYGFECUFVDWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4/c1-5(2-8-7-1)6-3-9-10-4-6/h1-4H,(H,7,8)(H,9,10).
What are the key properties of 4-(1H-pyrazol-4-yl)-1H-pyrazole?
4-(1H-pyrazol-4-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 4-(1H-pyrazol-4-yl)-1H-pyrazole is sourced from PubChem (CID 2422340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).