1,2-diethyl-3-methyl-3H-pyrazole

C8H16N2 — CID 57296207

IUPAC1,2-diethyl-3-methyl-3H-pyrazole
SMILESCCN1C=CC(C)N1CC
InChIInChI=1S/C8H16N2/c1-4-9-7-6-8(3)10(9)5-2/h6-8H,4-5H2,1-3H3
InChIKeyHTTSRMRKOKXRKB-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.46
Rot. Bonds2

About 1,2-diethyl-3-methyl-3H-pyrazole

1,2-diethyl-3-methyl-3H-pyrazole (PubChem CID 57296207) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 1,2-diethyl-3-methyl-3H-pyrazole.

Molecular Properties

Compound Name1,2-diethyl-3-methyl-3H-pyrazole
PubChem CID57296207
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name1,2-diethyl-3-methyl-3H-pyrazole
SMILESCCN1C=CC(C)N1CC
InChIInChI=1S/C8H16N2/c1-4-9-7-6-8(3)10(9)5-2/h6-8H,4-5H2,1-3H3
InChIKeyHTTSRMRKOKXRKB-UHFFFAOYSA-N
XLogP1.46
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-3-methyl-3H-pyrazole?
The IUPAC name of 1,2-diethyl-3-methyl-3H-pyrazole (CID 57296207) is 1,2-diethyl-3-methyl-3H-pyrazole.
What is the SMILES notation for 1,2-diethyl-3-methyl-3H-pyrazole?
The canonical SMILES for 1,2-diethyl-3-methyl-3H-pyrazole is CCN1C=CC(C)N1CC.
What is the InChIKey of 1,2-diethyl-3-methyl-3H-pyrazole?
The InChIKey is HTTSRMRKOKXRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-4-9-7-6-8(3)10(9)5-2/h6-8H,4-5H2,1-3H3.
What are the key properties of 1,2-diethyl-3-methyl-3H-pyrazole?
1,2-diethyl-3-methyl-3H-pyrazole has a molecular weight of 140.23 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-3-methyl-3H-pyrazole is sourced from PubChem (CID 57296207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).