3-(1-ethylpyrazol-4-yl)-2-(3-methylphenyl)propanoic acid

C15H18N2O2 — CID 79436089

IUPAC3-(1-ethylpyrazol-4-yl)-2-(3-methylphenyl)propanoic acid
SMILESCCn1cc(CC(C(=O)O)c2cccc(C)c2)cn1
InChIInChI=1S/C15H18N2O2/c1-3-17-10-12(9-16-17)8-14(15(18)19)13-6-4-5-11(2)7-13/h4-7,9-10,14H,3,8H2,1-2H3,(H,18,19)
InChIKeyHBLNIQFBZLGONX-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.62
Rot. Bonds5

About 3-(1-ethylpyrazol-4-yl)-2-(3-methylphenyl)propanoic acid

3-(1-ethylpyrazol-4-yl)-2-(3-methylphenyl)propanoic acid (PubChem CID 79436089) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(1-ethylpyrazol-4-yl)-2-(3-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-(1-ethylpyrazol-4-yl)-2-(3-methylphenyl)propanoic acid
PubChem CID79436089
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-(1-ethylpyrazol-4-yl)-2-(3-methylphenyl)propanoic acid
SMILESCCn1cc(CC(C(=O)O)c2cccc(C)c2)cn1
InChIInChI=1S/C15H18N2O2/c1-3-17-10-12(9-16-17)8-14(15(18)19)13-6-4-5-11(2)7-13/h4-7,9-10,14H,3,8H2,1-2H3,(H,18,19)
InChIKeyHBLNIQFBZLGONX-UHFFFAOYSA-N
XLogP2.62
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-3-(1-ethylpyrazol-4-yl)propanoic acid
CID 79440235
N-ethyl-3-(1-ethylpyrazol-4-yl)-2-(3-methylphenyl)propan-1-amine
CID 79417186
N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbenzamide
CID 19290566
4-(3-chloro-2-methyl-3-phenylpropyl)-1-ethylpyrazole
CID 113460170
(1S)-N-[1-(1-ethylpyrazol-4-yl)ethyl]-1-(3-methylphenyl)ethanamine
CID 81360333
2-(3-methylphenyl)-3-trimethylsilylpropanoic acid
CID 106322983
1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethanol
CID 115780549
1-(1-ethylpyrazol-4-yl)-4-(3-methylphenoxy)butan-2-ol
CID 105082863
1-(1-ethylpyrazol-4-yl)-3-phenylpentan-2-ol
CID 115780635
1-(3-ethoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanol
CID 62127843
2-(3-methylphenyl)-4-phenylbutanoic acid
CID 79436887
3-(2-bromophenyl)-2-(3-methylphenyl)propanoic acid
CID 79435789

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpyrazol-4-yl)-2-(3-methylphenyl)propanoic acid?
The IUPAC name of 3-(1-ethylpyrazol-4-yl)-2-(3-methylphenyl)propanoic acid (CID 79436089) is 3-(1-ethylpyrazol-4-yl)-2-(3-methylphenyl)propanoic acid.
What is the SMILES notation for 3-(1-ethylpyrazol-4-yl)-2-(3-methylphenyl)propanoic acid?
The canonical SMILES for 3-(1-ethylpyrazol-4-yl)-2-(3-methylphenyl)propanoic acid is CCn1cc(CC(C(=O)O)c2cccc(C)c2)cn1.
What is the InChIKey of 3-(1-ethylpyrazol-4-yl)-2-(3-methylphenyl)propanoic acid?
The InChIKey is HBLNIQFBZLGONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-17-10-12(9-16-17)8-14(15(18)19)13-6-4-5-11(2)7-13/h4-7,9-10,14H,3,8H2,1-2H3,(H,18,19).
What are the key properties of 3-(1-ethylpyrazol-4-yl)-2-(3-methylphenyl)propanoic acid?
3-(1-ethylpyrazol-4-yl)-2-(3-methylphenyl)propanoic acid has a molecular weight of 258.32 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpyrazol-4-yl)-2-(3-methylphenyl)propanoic acid is sourced from PubChem (CID 79436089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).