3,5-dimethyl-1-prop-1-en-2-ylpyrazole

C8H12N2 — CID 144858886

IUPAC3,5-dimethyl-1-prop-1-en-2-ylpyrazole
SMILESC=C(C)n1nc(C)cc1C
InChIInChI=1S/C8H12N2/c1-6(2)10-8(4)5-7(3)9-10/h5H,1H2,2-4H3
InChIKeyDQQBZPYIZXICIM-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.99
Rot. Bonds1

About 3,5-dimethyl-1-prop-1-en-2-ylpyrazole

3,5-dimethyl-1-prop-1-en-2-ylpyrazole (PubChem CID 144858886) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 3,5-dimethyl-1-prop-1-en-2-ylpyrazole.

Molecular Properties

Compound Name3,5-dimethyl-1-prop-1-en-2-ylpyrazole
PubChem CID144858886
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name3,5-dimethyl-1-prop-1-en-2-ylpyrazole
SMILESC=C(C)n1nc(C)cc1C
InChIInChI=1S/C8H12N2/c1-6(2)10-8(4)5-7(3)9-10/h5H,1H2,2-4H3
InChIKeyDQQBZPYIZXICIM-UHFFFAOYSA-N
XLogP1.99
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-prop-1-en-2-ylpyrazole?
The IUPAC name of 3,5-dimethyl-1-prop-1-en-2-ylpyrazole (CID 144858886) is 3,5-dimethyl-1-prop-1-en-2-ylpyrazole.
What is the SMILES notation for 3,5-dimethyl-1-prop-1-en-2-ylpyrazole?
The canonical SMILES for 3,5-dimethyl-1-prop-1-en-2-ylpyrazole is C=C(C)n1nc(C)cc1C.
What is the InChIKey of 3,5-dimethyl-1-prop-1-en-2-ylpyrazole?
The InChIKey is DQQBZPYIZXICIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-6(2)10-8(4)5-7(3)9-10/h5H,1H2,2-4H3.
What are the key properties of 3,5-dimethyl-1-prop-1-en-2-ylpyrazole?
3,5-dimethyl-1-prop-1-en-2-ylpyrazole has a molecular weight of 136.20 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-prop-1-en-2-ylpyrazole is sourced from PubChem (CID 144858886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).