1-ethyl-3-methylpyrazole

C6H10N2 — CID 12002774

IUPAC1-ethyl-3-methylpyrazole
SMILESCCn1ccc(C)n1
InChIInChI=1S/C6H10N2/c1-3-8-5-4-6(2)7-8/h4-5H,3H2,1-2H3
InChIKeyFSWUGFSHWYDKTO-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.21
Rot. Bonds1

About 1-ethyl-3-methylpyrazole

1-ethyl-3-methylpyrazole (PubChem CID 12002774) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 1-ethyl-3-methylpyrazole.

Molecular Properties

Compound Name1-ethyl-3-methylpyrazole
PubChem CID12002774
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name1-ethyl-3-methylpyrazole
SMILESCCn1ccc(C)n1
InChIInChI=1S/C6H10N2/c1-3-8-5-4-6(2)7-8/h4-5H,3H2,1-2H3
InChIKeyFSWUGFSHWYDKTO-UHFFFAOYSA-N
XLogP1.21
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methylpyrazole?
The IUPAC name of 1-ethyl-3-methylpyrazole (CID 12002774) is 1-ethyl-3-methylpyrazole.
What is the SMILES notation for 1-ethyl-3-methylpyrazole?
The canonical SMILES for 1-ethyl-3-methylpyrazole is CCn1ccc(C)n1.
What is the InChIKey of 1-ethyl-3-methylpyrazole?
The InChIKey is FSWUGFSHWYDKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-3-8-5-4-6(2)7-8/h4-5H,3H2,1-2H3.
What are the key properties of 1-ethyl-3-methylpyrazole?
1-ethyl-3-methylpyrazole has a molecular weight of 110.16 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methylpyrazole is sourced from PubChem (CID 12002774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).