1-ethyl-3,5,5-trimethyl-4H-pyrazole

C8H16N2 — CID 12612929

IUPAC1-ethyl-3,5,5-trimethyl-4H-pyrazole
SMILESCCN1N=C(C)CC1(C)C
InChIInChI=1S/C8H16N2/c1-5-10-8(3,4)6-7(2)9-10/h5-6H2,1-4H3
InChIKeyDFYSLEQXDQROQP-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.87
Rot. Bonds1

About 1-ethyl-3,5,5-trimethyl-4H-pyrazole

1-ethyl-3,5,5-trimethyl-4H-pyrazole (PubChem CID 12612929) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-ethyl-3,5,5-trimethyl-4H-pyrazole.

Molecular Properties

Compound Name1-ethyl-3,5,5-trimethyl-4H-pyrazole
PubChem CID12612929
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name1-ethyl-3,5,5-trimethyl-4H-pyrazole
SMILESCCN1N=C(C)CC1(C)C
InChIInChI=1S/C8H16N2/c1-5-10-8(3,4)6-7(2)9-10/h5-6H2,1-4H3
InChIKeyDFYSLEQXDQROQP-UHFFFAOYSA-N
XLogP1.87
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5,5-trimethyl-4H-pyrazole?
The IUPAC name of 1-ethyl-3,5,5-trimethyl-4H-pyrazole (CID 12612929) is 1-ethyl-3,5,5-trimethyl-4H-pyrazole.
What is the SMILES notation for 1-ethyl-3,5,5-trimethyl-4H-pyrazole?
The canonical SMILES for 1-ethyl-3,5,5-trimethyl-4H-pyrazole is CCN1N=C(C)CC1(C)C.
What is the InChIKey of 1-ethyl-3,5,5-trimethyl-4H-pyrazole?
The InChIKey is DFYSLEQXDQROQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-5-10-8(3,4)6-7(2)9-10/h5-6H2,1-4H3.
What are the key properties of 1-ethyl-3,5,5-trimethyl-4H-pyrazole?
1-ethyl-3,5,5-trimethyl-4H-pyrazole has a molecular weight of 140.23 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5,5-trimethyl-4H-pyrazole is sourced from PubChem (CID 12612929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).