2-(1H-pyrazol-4-yl)-1H-imidazole

C6H6N4 — CID 22037665

IUPAC2-(1H-pyrazol-4-yl)-1H-imidazole
SMILESc1c[nH]c(-c2cn[nH]c2)n1
InChIInChI=1S/C6H6N4/c1-2-8-6(7-1)5-3-9-10-4-5/h1-4H,(H,7,8)(H,9,10)
InChIKeyWRLDFGCWPKZMAU-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.80
Rot. Bonds1

About 2-(1H-pyrazol-4-yl)-1H-imidazole

2-(1H-pyrazol-4-yl)-1H-imidazole (PubChem CID 22037665) has the molecular formula C6H6N4 and a molecular weight of 134.14 g/mol. Its IUPAC name is 2-(1H-pyrazol-4-yl)-1H-imidazole.

Molecular Properties

Compound Name2-(1H-pyrazol-4-yl)-1H-imidazole
PubChem CID22037665
Molecular FormulaC6H6N4
Molecular Weight134.14 g/mol
Exact Mass134.06
IUPAC Name2-(1H-pyrazol-4-yl)-1H-imidazole
SMILESc1c[nH]c(-c2cn[nH]c2)n1
InChIInChI=1S/C6H6N4/c1-2-8-6(7-1)5-3-9-10-4-5/h1-4H,(H,7,8)(H,9,10)
InChIKeyWRLDFGCWPKZMAU-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 2-(1H-pyrazol-4-yl)-1H-imidazole?
The IUPAC name of 2-(1H-pyrazol-4-yl)-1H-imidazole (CID 22037665) is 2-(1H-pyrazol-4-yl)-1H-imidazole.
What is the SMILES notation for 2-(1H-pyrazol-4-yl)-1H-imidazole?
The canonical SMILES for 2-(1H-pyrazol-4-yl)-1H-imidazole is c1c[nH]c(-c2cn[nH]c2)n1.
What is the InChIKey of 2-(1H-pyrazol-4-yl)-1H-imidazole?
The InChIKey is WRLDFGCWPKZMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4/c1-2-8-6(7-1)5-3-9-10-4-5/h1-4H,(H,7,8)(H,9,10).
What are the key properties of 2-(1H-pyrazol-4-yl)-1H-imidazole?
2-(1H-pyrazol-4-yl)-1H-imidazole 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 2-(1H-pyrazol-4-yl)-1H-imidazole is sourced from PubChem (CID 22037665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).