ethyl 2-[(1-methylpyrazol-3-yl)oxymethyl]-3-propylbenzoate

C17H22N2O3 — CID 160566932

IUPACethyl 2-[(1-methylpyrazol-3-yl)oxymethyl]-3-propylbenzoate
SMILESCCCc1cccc(C(=O)OCC)c1COc1ccn(C)n1
InChIInChI=1S/C17H22N2O3/c1-4-7-13-8-6-9-14(17(20)21-5-2)15(13)12-22-16-10-11-19(3)18-16/h6,8-11H,4-5,7,12H2,1-3H3
InChIKeyRAASQQBTGZCUHC-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.13
Rot. Bonds7

About ethyl 2-[(1-methylpyrazol-3-yl)oxymethyl]-3-propylbenzoate

ethyl 2-[(1-methylpyrazol-3-yl)oxymethyl]-3-propylbenzoate (PubChem CID 160566932) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is ethyl 2-[(1-methylpyrazol-3-yl)oxymethyl]-3-propylbenzoate.

Molecular Properties

Compound Nameethyl 2-[(1-methylpyrazol-3-yl)oxymethyl]-3-propylbenzoate
PubChem CID160566932
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Nameethyl 2-[(1-methylpyrazol-3-yl)oxymethyl]-3-propylbenzoate
SMILESCCCc1cccc(C(=O)OCC)c1COc1ccn(C)n1
InChIInChI=1S/C17H22N2O3/c1-4-7-13-8-6-9-14(17(20)21-5-2)15(13)12-22-16-10-11-19(3)18-16/h6,8-11H,4-5,7,12H2,1-3H3
InChIKeyRAASQQBTGZCUHC-UHFFFAOYSA-N
XLogP3.13
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-methylpyrazol-3-yl)oxymethyl]-3-propylbenzoate?
The IUPAC name of ethyl 2-[(1-methylpyrazol-3-yl)oxymethyl]-3-propylbenzoate (CID 160566932) is ethyl 2-[(1-methylpyrazol-3-yl)oxymethyl]-3-propylbenzoate.
What is the SMILES notation for ethyl 2-[(1-methylpyrazol-3-yl)oxymethyl]-3-propylbenzoate?
The canonical SMILES for ethyl 2-[(1-methylpyrazol-3-yl)oxymethyl]-3-propylbenzoate is CCCc1cccc(C(=O)OCC)c1COc1ccn(C)n1.
What is the InChIKey of ethyl 2-[(1-methylpyrazol-3-yl)oxymethyl]-3-propylbenzoate?
The InChIKey is RAASQQBTGZCUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-4-7-13-8-6-9-14(17(20)21-5-2)15(13)12-22-16-10-11-19(3)18-16/h6,8-11H,4-5,7,12H2,1-3H3.
What are the key properties of ethyl 2-[(1-methylpyrazol-3-yl)oxymethyl]-3-propylbenzoate?
ethyl 2-[(1-methylpyrazol-3-yl)oxymethyl]-3-propylbenzoate has a molecular weight of 302.37 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-methylpyrazol-3-yl)oxymethyl]-3-propylbenzoate is sourced from PubChem (CID 160566932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).