ethyl 2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]acetate

C15H18N2O3 — CID 139561792

IUPACethyl 2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(-c2cnn(C)c2)cc1OC
InChIInChI=1S/C15H18N2O3/c1-4-20-15(18)8-12-6-5-11(7-14(12)19-3)13-9-16-17(2)10-13/h5-7,9-10H,4,8H2,1-3H3
InChIKeyOKDKGGKHMPGFJJ-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.20
Rot. Bonds5

About ethyl 2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]acetate

ethyl 2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]acetate (PubChem CID 139561792) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is ethyl 2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]acetate
PubChem CID139561792
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Nameethyl 2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(-c2cnn(C)c2)cc1OC
InChIInChI=1S/C15H18N2O3/c1-4-20-15(18)8-12-6-5-11(7-14(12)19-3)13-9-16-17(2)10-13/h5-7,9-10H,4,8H2,1-3H3
InChIKeyOKDKGGKHMPGFJJ-UHFFFAOYSA-N
XLogP2.20
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]acetate?
The IUPAC name of ethyl 2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]acetate (CID 139561792) is ethyl 2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]acetate.
What is the SMILES notation for ethyl 2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]acetate?
The canonical SMILES for ethyl 2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]acetate is CCOC(=O)Cc1ccc(-c2cnn(C)c2)cc1OC.
What is the InChIKey of ethyl 2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]acetate?
The InChIKey is OKDKGGKHMPGFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-4-20-15(18)8-12-6-5-11(7-14(12)19-3)13-9-16-17(2)10-13/h5-7,9-10H,4,8H2,1-3H3.
What are the key properties of ethyl 2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]acetate?
ethyl 2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]acetate has a molecular weight of 274.32 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]acetate is sourced from PubChem (CID 139561792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).