3-ethyl-5-methoxy-1-methylpyrazole

C7H12N2O — CID 165138939

IUPAC3-ethyl-5-methoxy-1-methylpyrazole
SMILESCCc1cc(OC)n(C)n1
InChIInChI=1S/C7H12N2O/c1-4-6-5-7(10-3)9(2)8-6/h5H,4H2,1-3H3
InChIKeyMRKQEEUYBWBWPK-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.99
Rot. Bonds2

About 3-ethyl-5-methoxy-1-methylpyrazole

3-ethyl-5-methoxy-1-methylpyrazole (PubChem CID 165138939) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 3-ethyl-5-methoxy-1-methylpyrazole.

Molecular Properties

Compound Name3-ethyl-5-methoxy-1-methylpyrazole
PubChem CID165138939
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name3-ethyl-5-methoxy-1-methylpyrazole
SMILESCCc1cc(OC)n(C)n1
InChIInChI=1S/C7H12N2O/c1-4-6-5-7(10-3)9(2)8-6/h5H,4H2,1-3H3
InChIKeyMRKQEEUYBWBWPK-UHFFFAOYSA-N
XLogP0.99
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethyl-1-methylpyrazol-5-yl) 3-oxobutanoate
CID 174419327
6-chloro-5-ethyl-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine
CID 114256242
3-fluoro-5-methoxy-1-methylpyrazole
CID 146392703
5-methoxy-1-methylpyrazol-3-amine
CID 55284551
2,2,2-trifluoro-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]acetamide
CID 130497701
4-(aminomethyl)-1-[(5-methoxy-1-methylpyrazol-3-yl)methyl]pyrrolidin-2-one
CID 114256587
2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]-N-propan-2-ylacetamide
CID 114255764
N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-2-methylpyrimidin-4-amine
CID 114256795
N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 114255453
N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-5,6-dimethylpyrazin-2-amine
CID 114256788
N-carbamoyl-2-[(5-methoxy-1-methylpyrazol-3-yl)methylamino]acetamide
CID 114255775
N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]-6-methylpyridin-2-amine
CID 114256789

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methoxy-1-methylpyrazole?
The IUPAC name of 3-ethyl-5-methoxy-1-methylpyrazole (CID 165138939) is 3-ethyl-5-methoxy-1-methylpyrazole.
What is the SMILES notation for 3-ethyl-5-methoxy-1-methylpyrazole?
The canonical SMILES for 3-ethyl-5-methoxy-1-methylpyrazole is CCc1cc(OC)n(C)n1.
What is the InChIKey of 3-ethyl-5-methoxy-1-methylpyrazole?
The InChIKey is MRKQEEUYBWBWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-4-6-5-7(10-3)9(2)8-6/h5H,4H2,1-3H3.
What are the key properties of 3-ethyl-5-methoxy-1-methylpyrazole?
3-ethyl-5-methoxy-1-methylpyrazole has a molecular weight of 140.19 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methoxy-1-methylpyrazole is sourced from PubChem (CID 165138939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).