1-ethyl-3-methoxy-4,5-dimethylpyrazole

C8H14N2O — CID 142138593

IUPAC1-ethyl-3-methoxy-4,5-dimethylpyrazole
SMILESCCn1nc(OC)c(C)c1C
InChIInChI=1S/C8H14N2O/c1-5-10-7(3)6(2)8(9-10)11-4/h5H2,1-4H3
InChIKeyCYNHGKPHKUOTFH-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.53
Rot. Bonds2

About 1-ethyl-3-methoxy-4,5-dimethylpyrazole

1-ethyl-3-methoxy-4,5-dimethylpyrazole (PubChem CID 142138593) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-ethyl-3-methoxy-4,5-dimethylpyrazole.

Molecular Properties

Compound Name1-ethyl-3-methoxy-4,5-dimethylpyrazole
PubChem CID142138593
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1-ethyl-3-methoxy-4,5-dimethylpyrazole
SMILESCCn1nc(OC)c(C)c1C
InChIInChI=1S/C8H14N2O/c1-5-10-7(3)6(2)8(9-10)11-4/h5H2,1-4H3
InChIKeyCYNHGKPHKUOTFH-UHFFFAOYSA-N
XLogP1.53
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-4,5-dimethylpyrazole-3-carboxylic acid
CID 89432142
1-ethyl-4-iodo-3,5-dimethylpyrazole
CID 51063680
1-ethyl-3-methoxy-4-phenylpyrazol-5-amine
CID 68878542
(1-ethyl-5-methyltriazol-4-yl)methanol
CID 82207210
4-(chloromethyl)-1-ethyl-3,5-dimethylpyrazole
CID 43648133
(1-ethyl-3,5-dimethylpyrazol-4-yl) formate
CID 174359314
(1,3-diethyl-5-methoxypyrazol-4-yl)methanol
CID 117124459
1-(4,5-dimethyl-3-propan-2-yloxypyrazol-1-yl)propan-2-one
CID 170618437
5-ethyl-2-(1-ethyl-4,5-dimethylpyrazol-3-yl)-4-methyl-1,3-oxazole
CID 21334442
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-methylmethanamine
CID 7022224
4-(2-bromoethyl)-1-ethyl-3,5-dimethylpyrazole
CID 103027318
1-ethyl-3-iodo-5-methoxypyrazole
CID 162723705

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methoxy-4,5-dimethylpyrazole?
The IUPAC name of 1-ethyl-3-methoxy-4,5-dimethylpyrazole (CID 142138593) is 1-ethyl-3-methoxy-4,5-dimethylpyrazole.
What is the SMILES notation for 1-ethyl-3-methoxy-4,5-dimethylpyrazole?
The canonical SMILES for 1-ethyl-3-methoxy-4,5-dimethylpyrazole is CCn1nc(OC)c(C)c1C.
What is the InChIKey of 1-ethyl-3-methoxy-4,5-dimethylpyrazole?
The InChIKey is CYNHGKPHKUOTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-5-10-7(3)6(2)8(9-10)11-4/h5H2,1-4H3.
What are the key properties of 1-ethyl-3-methoxy-4,5-dimethylpyrazole?
1-ethyl-3-methoxy-4,5-dimethylpyrazole has a molecular weight of 154.21 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methoxy-4,5-dimethylpyrazole is sourced from PubChem (CID 142138593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).