1-ethyl-3,5-dimethylpyrazole

C7H12N2 — CID 565993

IUPAC1-ethyl-3,5-dimethylpyrazole
SMILESCCn1nc(C)cc1C
InChIInChI=1S/C7H12N2/c1-4-9-7(3)5-6(2)8-9/h5H,4H2,1-3H3
InChIKeyWBTANXHOAUWNIK-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.52
Rot. Bonds1

About 1-ethyl-3,5-dimethylpyrazole

1-ethyl-3,5-dimethylpyrazole (PubChem CID 565993) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 1-ethyl-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-ethyl-3,5-dimethylpyrazole
PubChem CID565993
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name1-ethyl-3,5-dimethylpyrazole
SMILESCCn1nc(C)cc1C
InChIInChI=1S/C7H12N2/c1-4-9-7(3)5-6(2)8-9/h5H,4H2,1-3H3
InChIKeyWBTANXHOAUWNIK-UHFFFAOYSA-N
XLogP1.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-4-(3,5-dimethylpyrazol-1-yl)but-2-enyl]-3,5-dimethylpyrazole
CID 2055740
1-ethyl-5-fluoro-3-methylpyrazole
CID 119056206
(1-ethyl-5-methylpyrazol-3-yl)methanamine
CID 23005647
5-(chloromethyl)-1-ethyl-3-methylpyrazole
CID 50896690
ethane;1-ethyl-5-methyl-3-propan-2-ylpyrazole
CID 169218141
1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole
CID 20774327
1-(2-ethoxyethyl)-3,5-dimethylpyrazole
CID 15154386
3,5-dimethyl-1-prop-2-enylpyrazole
CID 25930
3,5-dimethyl-1-(3-methylbutyl)pyrazole
CID 59748002
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-ethyl-N,6-dimethylpyrimidin-4-amine
CID 50956229
1-[2-(bromomethyl)-2-ethylbutyl]-3,5-dimethylpyrazole
CID 64998721
2-[(3,5-dimethylpyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine
CID 80654966

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5-dimethylpyrazole?
The IUPAC name of 1-ethyl-3,5-dimethylpyrazole (CID 565993) is 1-ethyl-3,5-dimethylpyrazole.
What is the SMILES notation for 1-ethyl-3,5-dimethylpyrazole?
The canonical SMILES for 1-ethyl-3,5-dimethylpyrazole is CCn1nc(C)cc1C.
What is the InChIKey of 1-ethyl-3,5-dimethylpyrazole?
The InChIKey is WBTANXHOAUWNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-4-9-7(3)5-6(2)8-9/h5H,4H2,1-3H3.
What are the key properties of 1-ethyl-3,5-dimethylpyrazole?
1-ethyl-3,5-dimethylpyrazole has a molecular weight of 124.19 g/mol, XLogP of 1.52, 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-dimethylpyrazole is sourced from PubChem (CID 565993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).