[(1R)-1-(3-methoxyphenyl)ethyl] 1-ethylpyrazole-4-carboxylate

C15H18N2O3 — CID 97060219

IUPAC[(1R)-1-(3-methoxyphenyl)ethyl] 1-ethylpyrazole-4-carboxylate
SMILESCCn1cc(C(=O)O[C@H](C)c2cccc(OC)c2)cn1
InChIInChI=1S/C15H18N2O3/c1-4-17-10-13(9-16-17)15(18)20-11(2)12-6-5-7-14(8-12)19-3/h5-11H,4H2,1-3H3/t11-/m1/s1
InChIKeyVEUNHSVPHDAPPI-LLVKDONJSA-N
MW274.32 g/mol
LogP2.83
Rot. Bonds5

About [(1R)-1-(3-methoxyphenyl)ethyl] 1-ethylpyrazole-4-carboxylate

[(1R)-1-(3-methoxyphenyl)ethyl] 1-ethylpyrazole-4-carboxylate (PubChem CID 97060219) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is [(1R)-1-(3-methoxyphenyl)ethyl] 1-ethylpyrazole-4-carboxylate.

Molecular Properties

Compound Name[(1R)-1-(3-methoxyphenyl)ethyl] 1-ethylpyrazole-4-carboxylate
PubChem CID97060219
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name[(1R)-1-(3-methoxyphenyl)ethyl] 1-ethylpyrazole-4-carboxylate
SMILESCCn1cc(C(=O)O[C@H](C)c2cccc(OC)c2)cn1
InChIInChI=1S/C15H18N2O3/c1-4-17-10-13(9-16-17)15(18)20-11(2)12-6-5-7-14(8-12)19-3/h5-11H,4H2,1-3H3/t11-/m1/s1
InChIKeyVEUNHSVPHDAPPI-LLVKDONJSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-ethylpyrazol-4-yl)oxy-1-(3-methoxyphenyl)ethanol
CID 116802474
1-(3-methoxyphenyl)ethyl 2-ethyl-6-oxo-1H-pyridine-4-carboxylate
CID 86784896
[(1-ethylpyrazol-4-yl)-(3-methoxyphenyl)methyl]hydrazine
CID 105191655
2-[(1-ethylpyrazol-4-yl)methylamino]-1-(3-methoxyphenyl)ethanol
CID 111117940
2-[(1R)-1-(3-methoxyphenyl)ethoxy]carbonylbenzoic acid
CID 146474488
1-(3-ethoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanol
CID 62127843
1-ethyl-N-(4-methoxy-2-pyridinyl)pyrazole-4-carboxamide
CID 75392803
N-[(1-ethylpyrazol-4-yl)methyl]-3-(3-methoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide
CID 19515494
2-[(1-ethylpyrazol-4-yl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 22194265
(4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one
CID 101411477
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-methoxybenzamide
CID 19462831
1-(1-ethylpyrazol-4-yl)ethanone
CID 4912928

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(3-methoxyphenyl)ethyl] 1-ethylpyrazole-4-carboxylate?
The IUPAC name of [(1R)-1-(3-methoxyphenyl)ethyl] 1-ethylpyrazole-4-carboxylate (CID 97060219) is [(1R)-1-(3-methoxyphenyl)ethyl] 1-ethylpyrazole-4-carboxylate.
What is the SMILES notation for [(1R)-1-(3-methoxyphenyl)ethyl] 1-ethylpyrazole-4-carboxylate?
The canonical SMILES for [(1R)-1-(3-methoxyphenyl)ethyl] 1-ethylpyrazole-4-carboxylate is CCn1cc(C(=O)O[C@H](C)c2cccc(OC)c2)cn1.
What is the InChIKey of [(1R)-1-(3-methoxyphenyl)ethyl] 1-ethylpyrazole-4-carboxylate?
The InChIKey is VEUNHSVPHDAPPI-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-4-17-10-13(9-16-17)15(18)20-11(2)12-6-5-7-14(8-12)19-3/h5-11H,4H2,1-3H3/t11-/m1/s1.
What are the key properties of [(1R)-1-(3-methoxyphenyl)ethyl] 1-ethylpyrazole-4-carboxylate?
[(1R)-1-(3-methoxyphenyl)ethyl] 1-ethylpyrazole-4-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(3-methoxyphenyl)ethyl] 1-ethylpyrazole-4-carboxylate is sourced from PubChem (CID 97060219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).