1-ethenyl-3,5-dimethylpyrazole

C7H10N2 — CID 578873

IUPAC1-ethenyl-3,5-dimethylpyrazole
SMILESC=Cn1nc(C)cc1C
InChIInChI=1S/C7H10N2/c1-4-9-7(3)5-6(2)8-9/h4-5H,1H2,2-3H3
InChIKeyPWHCXMAJNAYEOR-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.60
Rot. Bonds1

About 1-ethenyl-3,5-dimethylpyrazole

1-ethenyl-3,5-dimethylpyrazole (PubChem CID 578873) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 1-ethenyl-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-ethenyl-3,5-dimethylpyrazole
PubChem CID578873
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name1-ethenyl-3,5-dimethylpyrazole
SMILESC=Cn1nc(C)cc1C
InChIInChI=1S/C7H10N2/c1-4-9-7(3)5-6(2)8-9/h4-5H,1H2,2-3H3
InChIKeyPWHCXMAJNAYEOR-UHFFFAOYSA-N
XLogP1.60
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3,5-dimethylpyrazole?
The IUPAC name of 1-ethenyl-3,5-dimethylpyrazole (CID 578873) is 1-ethenyl-3,5-dimethylpyrazole.
What is the SMILES notation for 1-ethenyl-3,5-dimethylpyrazole?
The canonical SMILES for 1-ethenyl-3,5-dimethylpyrazole is C=Cn1nc(C)cc1C.
What is the InChIKey of 1-ethenyl-3,5-dimethylpyrazole?
The InChIKey is PWHCXMAJNAYEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-4-9-7(3)5-6(2)8-9/h4-5H,1H2,2-3H3.
What are the key properties of 1-ethenyl-3,5-dimethylpyrazole?
1-ethenyl-3,5-dimethylpyrazole has a molecular weight of 122.17 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3,5-dimethylpyrazole is sourced from PubChem (CID 578873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).