3,5-dimethyl-1H-pyrazole;trioxochromium

C5H8CrN2O3 — CID 11769411

IUPAC3,5-dimethyl-1H-pyrazole;trioxochromium
SMILESCc1cc(C)[nH]n1.O=[Cr](=O)=O
InChIInChI=1S/C5H8N2.Cr.3O/c1-4-3-5(2)7-6-4;;;;/h3H,1-2H3,(H,6,7);;;;
InChIKeyAOIUMTYWVYFWNA-UHFFFAOYSA-N
MW196.13 g/mol
LogP0.67
Rot. Bonds

About 3,5-dimethyl-1H-pyrazole;trioxochromium

3,5-dimethyl-1H-pyrazole;trioxochromium (PubChem CID 11769411) has the molecular formula C5H8CrN2O3 and a molecular weight of 196.13 g/mol. Its IUPAC name is 3,5-dimethyl-1H-pyrazole;trioxochromium.

Molecular Properties

Compound Name3,5-dimethyl-1H-pyrazole;trioxochromium
PubChem CID11769411
Molecular FormulaC5H8CrN2O3
Molecular Weight196.13 g/mol
Exact Mass195.99
IUPAC Name3,5-dimethyl-1H-pyrazole;trioxochromium
SMILESCc1cc(C)[nH]n1.O=[Cr](=O)=O
InChIInChI=1S/C5H8N2.Cr.3O/c1-4-3-5(2)7-6-4;;;;/h3H,1-2H3,(H,6,7);;;;
InChIKeyAOIUMTYWVYFWNA-UHFFFAOYSA-N
XLogP0.67
TPSA79.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.13
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1H-pyrazole;trioxochromium?
The IUPAC name of 3,5-dimethyl-1H-pyrazole;trioxochromium (CID 11769411) is 3,5-dimethyl-1H-pyrazole;trioxochromium.
What is the SMILES notation for 3,5-dimethyl-1H-pyrazole;trioxochromium?
The canonical SMILES for 3,5-dimethyl-1H-pyrazole;trioxochromium is Cc1cc(C)[nH]n1.O=[Cr](=O)=O.
What is the InChIKey of 3,5-dimethyl-1H-pyrazole;trioxochromium?
The InChIKey is AOIUMTYWVYFWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.Cr.3O/c1-4-3-5(2)7-6-4;;;;/h3H,1-2H3,(H,6,7);;;;.
What are the key properties of 3,5-dimethyl-1H-pyrazole;trioxochromium?
3,5-dimethyl-1H-pyrazole;trioxochromium has a molecular weight of 196.13 g/mol, XLogP of 0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1H-pyrazole;trioxochromium is sourced from PubChem (CID 11769411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).