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

C7H12N2 — CID 2753139

IUPAC3-ethyl-4,5-dimethyl-1H-pyrazole
SMILESCCc1n[nH]c(C)c1C
InChIInChI=1S/C7H12N2/c1-4-7-5(2)6(3)8-9-7/h4H2,1-3H3,(H,8,9)
InChIKeyLXWFIXIVBZXVLN-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.59
Rot. Bonds1

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

3-ethyl-4,5-dimethyl-1H-pyrazole (PubChem CID 2753139) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 3-ethyl-4,5-dimethyl-1H-pyrazole.

Molecular Properties

Compound Name3-ethyl-4,5-dimethyl-1H-pyrazole
PubChem CID2753139
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name3-ethyl-4,5-dimethyl-1H-pyrazole
SMILESCCc1n[nH]c(C)c1C
InChIInChI=1S/C7H12N2/c1-4-7-5(2)6(3)8-9-7/h4H2,1-3H3,(H,8,9)
InChIKeyLXWFIXIVBZXVLN-UHFFFAOYSA-N
XLogP1.59
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4,5-dimethyl-1H-pyrazole?
The IUPAC name of 3-ethyl-4,5-dimethyl-1H-pyrazole (CID 2753139) is 3-ethyl-4,5-dimethyl-1H-pyrazole.
What is the SMILES notation for 3-ethyl-4,5-dimethyl-1H-pyrazole?
The canonical SMILES for 3-ethyl-4,5-dimethyl-1H-pyrazole is CCc1n[nH]c(C)c1C.
What is the InChIKey of 3-ethyl-4,5-dimethyl-1H-pyrazole?
The InChIKey is LXWFIXIVBZXVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-4-7-5(2)6(3)8-9-7/h4H2,1-3H3,(H,8,9).
What are the key properties of 3-ethyl-4,5-dimethyl-1H-pyrazole?
3-ethyl-4,5-dimethyl-1H-pyrazole has a molecular weight of 124.19 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4,5-dimethyl-1H-pyrazole is sourced from PubChem (CID 2753139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).