3-ethyl-4,5-dimethyl-4H-pyrazole

C7H12N2 — CID 90298376

IUPAC3-ethyl-4,5-dimethyl-4H-pyrazole
SMILESCCC1=NN=C(C)C1C
InChIInChI=1S/C7H12N2/c1-4-7-5(2)6(3)8-9-7/h5H,4H2,1-3H3
InChIKeyJTBFKUMRMLJZBF-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.86
Rot. Bonds1

About 3-ethyl-4,5-dimethyl-4H-pyrazole

3-ethyl-4,5-dimethyl-4H-pyrazole (PubChem CID 90298376) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 3-ethyl-4,5-dimethyl-4H-pyrazole.

Molecular Properties

Compound Name3-ethyl-4,5-dimethyl-4H-pyrazole
PubChem CID90298376
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name3-ethyl-4,5-dimethyl-4H-pyrazole
SMILESCCC1=NN=C(C)C1C
InChIInChI=1S/C7H12N2/c1-4-7-5(2)6(3)8-9-7/h5H,4H2,1-3H3
InChIKeyJTBFKUMRMLJZBF-UHFFFAOYSA-N
XLogP1.86
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4,5-dimethyl-4H-pyrazole?
The IUPAC name of 3-ethyl-4,5-dimethyl-4H-pyrazole (CID 90298376) is 3-ethyl-4,5-dimethyl-4H-pyrazole.
What is the SMILES notation for 3-ethyl-4,5-dimethyl-4H-pyrazole?
The canonical SMILES for 3-ethyl-4,5-dimethyl-4H-pyrazole is CCC1=NN=C(C)C1C.
What is the InChIKey of 3-ethyl-4,5-dimethyl-4H-pyrazole?
The InChIKey is JTBFKUMRMLJZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-4-7-5(2)6(3)8-9-7/h5H,4H2,1-3H3.
What are the key properties of 3-ethyl-4,5-dimethyl-4H-pyrazole?
3-ethyl-4,5-dimethyl-4H-pyrazole has a molecular weight of 124.19 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4,5-dimethyl-4H-pyrazole is sourced from PubChem (CID 90298376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).