1-ethyl-2,3,5-trimethyl-3H-pyrazole

C8H16N2 — CID 86249110

IUPAC1-ethyl-2,3,5-trimethyl-3H-pyrazole
SMILESCCN1C(C)=CC(C)N1C
InChIInChI=1S/C8H16N2/c1-5-10-8(3)6-7(2)9(10)4/h6-7H,5H2,1-4H3
InChIKeyXTMKWDHMHZBZLC-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.46
Rot. Bonds1

About 1-ethyl-2,3,5-trimethyl-3H-pyrazole

1-ethyl-2,3,5-trimethyl-3H-pyrazole (PubChem CID 86249110) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 1-ethyl-2,3,5-trimethyl-3H-pyrazole.

Molecular Properties

Compound Name1-ethyl-2,3,5-trimethyl-3H-pyrazole
PubChem CID86249110
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name1-ethyl-2,3,5-trimethyl-3H-pyrazole
SMILESCCN1C(C)=CC(C)N1C
InChIInChI=1S/C8H16N2/c1-5-10-8(3)6-7(2)9(10)4/h6-7H,5H2,1-4H3
InChIKeyXTMKWDHMHZBZLC-UHFFFAOYSA-N
XLogP1.46
TPSA6.48 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 ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3,5-tetramethyl-3H-pyrazole
CID 21766394
1,2-diethyl-3-methyl-3H-pyrazole
CID 57296207
1,2,5-tris(prop-2-enyl)-3H-pyrazole
CID 67289211
1-butyl-2,3,5-trimethyl-3H-pyrazole
CID 86249096
1-hexyl-2,3,5-trimethyl-3H-pyrazole
CID 86249098
1,3,5-trimethyl-2-propyl-3H-pyrazole
CID 86249112
2-butyl-1,3,5-trimethyl-3H-pyrazole
CID 89400345
2-ethyl-1,3,5-trimethyl-3H-pyrazole
CID 89400366
N,N-dimethyl-6-methylidene-2,5-dihydropyridin-1-amine
CID 91424405
N-ethyl-N,7-dimethyl-2,5-dihydroazepin-1-amine
CID 129238407
(Z)-2-N,4-N-diethyl-2-N,4-N-dimethylpent-2-ene-2,4-diamine
CID 130267393
2-hexyl-1,3,5-trimethyl-3H-pyrazole
CID 141340530

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3,5-trimethyl-3H-pyrazole?
The IUPAC name of 1-ethyl-2,3,5-trimethyl-3H-pyrazole (CID 86249110) is 1-ethyl-2,3,5-trimethyl-3H-pyrazole.
What is the SMILES notation for 1-ethyl-2,3,5-trimethyl-3H-pyrazole?
The canonical SMILES for 1-ethyl-2,3,5-trimethyl-3H-pyrazole is CCN1C(C)=CC(C)N1C.
What is the InChIKey of 1-ethyl-2,3,5-trimethyl-3H-pyrazole?
The InChIKey is XTMKWDHMHZBZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-5-10-8(3)6-7(2)9(10)4/h6-7H,5H2,1-4H3.
What are the key properties of 1-ethyl-2,3,5-trimethyl-3H-pyrazole?
1-ethyl-2,3,5-trimethyl-3H-pyrazole has a molecular weight of 140.23 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3,5-trimethyl-3H-pyrazole is sourced from PubChem (CID 86249110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).