(1-ethyl-3-phenylmethoxypyrazol-4-yl) propanoate

C15H18N2O3 — CID 91540598

IUPAC(1-ethyl-3-phenylmethoxypyrazol-4-yl) propanoate
SMILESCCC(=O)Oc1cn(CC)nc1OCc1ccccc1
InChIInChI=1S/C15H18N2O3/c1-3-14(18)20-13-10-17(4-2)16-15(13)19-11-12-8-6-5-7-9-12/h5-10H,3-4,11H2,1-2H3
InChIKeyWBXKQLGFPOZBIR-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.80
Rot. Bonds6

About (1-ethyl-3-phenylmethoxypyrazol-4-yl) propanoate

(1-ethyl-3-phenylmethoxypyrazol-4-yl) propanoate (PubChem CID 91540598) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is (1-ethyl-3-phenylmethoxypyrazol-4-yl) propanoate.

Molecular Properties

Compound Name(1-ethyl-3-phenylmethoxypyrazol-4-yl) propanoate
PubChem CID91540598
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name(1-ethyl-3-phenylmethoxypyrazol-4-yl) propanoate
SMILESCCC(=O)Oc1cn(CC)nc1OCc1ccccc1
InChIInChI=1S/C15H18N2O3/c1-3-14(18)20-13-10-17(4-2)16-15(13)19-11-12-8-6-5-7-9-12/h5-10H,3-4,11H2,1-2H3
InChIKeyWBXKQLGFPOZBIR-UHFFFAOYSA-N
XLogP2.80
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-4-[(3S)-3-phenylmethoxybutoxy]pyrazole
CID 100730887
4-[(4-Fluorophenyl)methoxy]-1-methylpyrazole
CID 71911486
1-Ethyl-4-[(2-fluoro-4-methoxyphenyl)methoxy]pyrazole
CID 102879432
4-[(2-Fluoro-4-methoxyphenyl)methoxy]-1-propylpyrazole
CID 102879434
(E)-3-[2-(1-ethylpyrazol-4-yl)oxy-6-fluorophenyl]prop-2-enoic acid
CID 108308451
(E)-3-[2-fluoro-6-(1-propylpyrazol-4-yl)oxyphenyl]prop-2-enoic acid
CID 108308452
(E)-3-[2-(1-ethylpyrazol-4-yl)oxy-3-fluorophenyl]prop-2-enoic acid
CID 108340169
(E)-3-[3-fluoro-2-(1-propylpyrazol-4-yl)oxyphenyl]prop-2-enoic acid
CID 108340173
4-[(2-Fluoro-3-methoxyphenyl)methoxy]-1-methylpyrazole
CID 113564758
4-[(3,4-Difluorophenyl)methoxy]-1-propylpyrazole
CID 113566270
4-[(2-Fluorophenyl)methoxy]-1-propylpyrazole
CID 113566273
4-[(4-Fluorophenyl)methoxy]-1-propylpyrazole
CID 113566285

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-3-phenylmethoxypyrazol-4-yl) propanoate?
The IUPAC name of (1-ethyl-3-phenylmethoxypyrazol-4-yl) propanoate (CID 91540598) is (1-ethyl-3-phenylmethoxypyrazol-4-yl) propanoate.
What is the SMILES notation for (1-ethyl-3-phenylmethoxypyrazol-4-yl) propanoate?
The canonical SMILES for (1-ethyl-3-phenylmethoxypyrazol-4-yl) propanoate is CCC(=O)Oc1cn(CC)nc1OCc1ccccc1.
What is the InChIKey of (1-ethyl-3-phenylmethoxypyrazol-4-yl) propanoate?
The InChIKey is WBXKQLGFPOZBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-14(18)20-13-10-17(4-2)16-15(13)19-11-12-8-6-5-7-9-12/h5-10H,3-4,11H2,1-2H3.
What are the key properties of (1-ethyl-3-phenylmethoxypyrazol-4-yl) propanoate?
(1-ethyl-3-phenylmethoxypyrazol-4-yl) propanoate has a molecular weight of 274.32 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3-phenylmethoxypyrazol-4-yl) propanoate is sourced from PubChem (CID 91540598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).