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

C9H18N2 — CID 134536778

IUPAC4-ethyl-3,4,5,5-tetramethyl-3H-pyrazole
SMILESCCC1(C)C(C)N=NC1(C)C
InChIInChI=1S/C9H18N2/c1-6-9(5)7(2)10-11-8(9,3)4/h7H,6H2,1-5H3
InChIKeyVFODDAUVVUNHML-UHFFFAOYSA-N
MW154.26 g/mol
LogP3.04
Rot. Bonds1

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

4-ethyl-3,4,5,5-tetramethyl-3H-pyrazole (PubChem CID 134536778) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 4-ethyl-3,4,5,5-tetramethyl-3H-pyrazole.

Molecular Properties

Compound Name4-ethyl-3,4,5,5-tetramethyl-3H-pyrazole
PubChem CID134536778
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name4-ethyl-3,4,5,5-tetramethyl-3H-pyrazole
SMILESCCC1(C)C(C)N=NC1(C)C
InChIInChI=1S/C9H18N2/c1-6-9(5)7(2)10-11-8(9,3)4/h7H,6H2,1-5H3
InChIKeyVFODDAUVVUNHML-UHFFFAOYSA-N
XLogP3.04
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(1R)-1-ethyl-1,2-dimethylcyclopropane
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1-ethyl-1,2-dimethylcyclopropane
CID 524629
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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3,4,5,5-tetramethyl-3H-pyrazole?
The IUPAC name of 4-ethyl-3,4,5,5-tetramethyl-3H-pyrazole (CID 134536778) is 4-ethyl-3,4,5,5-tetramethyl-3H-pyrazole.
What is the SMILES notation for 4-ethyl-3,4,5,5-tetramethyl-3H-pyrazole?
The canonical SMILES for 4-ethyl-3,4,5,5-tetramethyl-3H-pyrazole is CCC1(C)C(C)N=NC1(C)C.
What is the InChIKey of 4-ethyl-3,4,5,5-tetramethyl-3H-pyrazole?
The InChIKey is VFODDAUVVUNHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-6-9(5)7(2)10-11-8(9,3)4/h7H,6H2,1-5H3.
What are the key properties of 4-ethyl-3,4,5,5-tetramethyl-3H-pyrazole?
4-ethyl-3,4,5,5-tetramethyl-3H-pyrazole has a molecular weight of 154.26 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3,4,5,5-tetramethyl-3H-pyrazole is sourced from PubChem (CID 134536778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).