methyl 2-(5-phenylmethoxy-1H-pyrazol-4-yl)propanoate

C14H16N2O3 — CID 69427072

IUPACmethyl 2-(5-phenylmethoxy-1H-pyrazol-4-yl)propanoate
SMILESCOC(=O)C(C)c1cn[nH]c1OCc1ccccc1
InChIInChI=1S/C14H16N2O3/c1-10(14(17)18-2)12-8-15-16-13(12)19-9-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,15,16)
InChIKeySDJGOOYSQJKSRF-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.27
Rot. Bonds5

About methyl 2-(5-phenylmethoxy-1H-pyrazol-4-yl)propanoate

methyl 2-(5-phenylmethoxy-1H-pyrazol-4-yl)propanoate (PubChem CID 69427072) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is methyl 2-(5-phenylmethoxy-1H-pyrazol-4-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(5-phenylmethoxy-1H-pyrazol-4-yl)propanoate
PubChem CID69427072
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Namemethyl 2-(5-phenylmethoxy-1H-pyrazol-4-yl)propanoate
SMILESCOC(=O)C(C)c1cn[nH]c1OCc1ccccc1
InChIInChI=1S/C14H16N2O3/c1-10(14(17)18-2)12-8-15-16-13(12)19-9-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,15,16)
InChIKeySDJGOOYSQJKSRF-UHFFFAOYSA-N
XLogP2.27
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-phenylmethoxyphenyl)propanoate
CID 54327103
methyl 3-hydroxy-2-(2-phenylmethoxyphenyl)butanoate
CID 11990868
methyl 2-methyl-3-phenylpropanoate
CID 11105919
methyl 2-(4-phenylmethoxyphenoxy)propanoate
CID 13093988
3-O-benzyl 1-O-methyl (2R)-2-[(7-methyl-1H-indazol-5-yl)methyl]propanedioate
CID 66603910
methyl 3-methyl-2-phenylmethoxybutanoate
CID 13289114
methyl (2S)-3-methyl-2-phenylmethoxybutanoate
CID 11096185
methyl 2-[2-[3-methyl-1-(phenylmethoxycarbonylamino)butyl]-1,3-thiazol-5-yl]propanoate
CID 70089189
methyl (2R)-2-benzyl-3-methylbutanoate
CID 59852467
methyl 3-hydroxy-4-methyl-2-[1-(4-phenylmethoxyphenyl)ethyl]pentanoate
CID 67666709
(2R)-2-(2-phenylmethoxyphenyl)propanoic acid
CID 129363475
methyl (2S)-2-(2-methoxyphenyl)propanoate
CID 12867082

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-phenylmethoxy-1H-pyrazol-4-yl)propanoate?
The IUPAC name of methyl 2-(5-phenylmethoxy-1H-pyrazol-4-yl)propanoate (CID 69427072) is methyl 2-(5-phenylmethoxy-1H-pyrazol-4-yl)propanoate.
What is the SMILES notation for methyl 2-(5-phenylmethoxy-1H-pyrazol-4-yl)propanoate?
The canonical SMILES for methyl 2-(5-phenylmethoxy-1H-pyrazol-4-yl)propanoate is COC(=O)C(C)c1cn[nH]c1OCc1ccccc1.
What is the InChIKey of methyl 2-(5-phenylmethoxy-1H-pyrazol-4-yl)propanoate?
The InChIKey is SDJGOOYSQJKSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-10(14(17)18-2)12-8-15-16-13(12)19-9-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,15,16).
What are the key properties of methyl 2-(5-phenylmethoxy-1H-pyrazol-4-yl)propanoate?
methyl 2-(5-phenylmethoxy-1H-pyrazol-4-yl)propanoate has a molecular weight of 260.29 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-phenylmethoxy-1H-pyrazol-4-yl)propanoate is sourced from PubChem (CID 69427072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).