1-imidazol-1-ylpyrazole

C6H6N4 — CID 3050615

IUPAC1-imidazol-1-ylpyrazole
SMILESc1cnn(-n2ccnc2)c1
InChIInChI=1S/C6H6N4/c1-2-8-10(4-1)9-5-3-7-6-9/h1-6H
InChIKeyGAXDPKIZNJKMHP-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.39
Rot. Bonds1

About 1-imidazol-1-ylpyrazole

1-imidazol-1-ylpyrazole (PubChem CID 3050615) has the molecular formula C6H6N4 and a molecular weight of 134.14 g/mol. Its IUPAC name is 1-imidazol-1-ylpyrazole.

Molecular Properties

Compound Name1-imidazol-1-ylpyrazole
PubChem CID3050615
Molecular FormulaC6H6N4
Molecular Weight134.14 g/mol
Exact Mass134.06
IUPAC Name1-imidazol-1-ylpyrazole
SMILESc1cnn(-n2ccnc2)c1
InChIInChI=1S/C6H6N4/c1-2-8-10(4-1)9-5-3-7-6-9/h1-6H
InChIKeyGAXDPKIZNJKMHP-UHFFFAOYSA-N
XLogP0.39
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-ylpyrazole?
The IUPAC name of 1-imidazol-1-ylpyrazole (CID 3050615) is 1-imidazol-1-ylpyrazole.
What is the SMILES notation for 1-imidazol-1-ylpyrazole?
The canonical SMILES for 1-imidazol-1-ylpyrazole is c1cnn(-n2ccnc2)c1.
What is the InChIKey of 1-imidazol-1-ylpyrazole?
The InChIKey is GAXDPKIZNJKMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4/c1-2-8-10(4-1)9-5-3-7-6-9/h1-6H.
What are the key properties of 1-imidazol-1-ylpyrazole?
1-imidazol-1-ylpyrazole has a molecular weight of 134.14 g/mol, XLogP of 0.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-ylpyrazole is sourced from PubChem (CID 3050615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).