di(pyrazol-1-yl)methanone

C7H6N4O — CID 10464620

IUPACdi(pyrazol-1-yl)methanone
SMILESO=C(n1cccn1)n1cccn1
InChIInChI=1S/C7H6N4O/c12-7(10-5-1-3-8-10)11-6-2-4-9-11/h1-6H
InChIKeyZDIACNVYSMNTGL-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.60
Rot. Bonds

About di(pyrazol-1-yl)methanone

di(pyrazol-1-yl)methanone (PubChem CID 10464620) has the molecular formula C7H6N4O and a molecular weight of 162.15 g/mol. Its IUPAC name is di(pyrazol-1-yl)methanone.

Molecular Properties

Compound Namedi(pyrazol-1-yl)methanone
PubChem CID10464620
Molecular FormulaC7H6N4O
Molecular Weight162.15 g/mol
Exact Mass162.05
IUPAC Namedi(pyrazol-1-yl)methanone
SMILESO=C(n1cccn1)n1cccn1
InChIInChI=1S/C7H6N4O/c12-7(10-5-1-3-8-10)11-6-2-4-9-11/h1-6H
InChIKeyZDIACNVYSMNTGL-UHFFFAOYSA-N
XLogP0.60
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of di(pyrazol-1-yl)methanone?
The IUPAC name of di(pyrazol-1-yl)methanone (CID 10464620) is di(pyrazol-1-yl)methanone.
What is the SMILES notation for di(pyrazol-1-yl)methanone?
The canonical SMILES for di(pyrazol-1-yl)methanone is O=C(n1cccn1)n1cccn1.
What is the InChIKey of di(pyrazol-1-yl)methanone?
The InChIKey is ZDIACNVYSMNTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O/c12-7(10-5-1-3-8-10)11-6-2-4-9-11/h1-6H.
What are the key properties of di(pyrazol-1-yl)methanone?
di(pyrazol-1-yl)methanone has a molecular weight of 162.15 g/mol, XLogP of 0.60, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for di(pyrazol-1-yl)methanone is sourced from PubChem (CID 10464620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).