3-(3,5-diethylpyrazol-1-yl)-2-phenylpropanoic acid

C16H20N2O2 — CID 82692790

IUPAC3-(3,5-diethylpyrazol-1-yl)-2-phenylpropanoic acid
SMILESCCc1cc(CC)n(CC(C(=O)O)c2ccccc2)n1
InChIInChI=1S/C16H20N2O2/c1-3-13-10-14(4-2)18(17-13)11-15(16(19)20)12-8-6-5-7-9-12/h5-10,15H,3-4,11H2,1-2H3,(H,19,20)
InChIKeyWTSMIXPDQSXVKW-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.88
Rot. Bonds6

About 3-(3,5-diethylpyrazol-1-yl)-2-phenylpropanoic acid

3-(3,5-diethylpyrazol-1-yl)-2-phenylpropanoic acid (PubChem CID 82692790) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-(3,5-diethylpyrazol-1-yl)-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-(3,5-diethylpyrazol-1-yl)-2-phenylpropanoic acid
PubChem CID82692790
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-(3,5-diethylpyrazol-1-yl)-2-phenylpropanoic acid
SMILESCCc1cc(CC)n(CC(C(=O)O)c2ccccc2)n1
InChIInChI=1S/C16H20N2O2/c1-3-13-10-14(4-2)18(17-13)11-15(16(19)20)12-8-6-5-7-9-12/h5-10,15H,3-4,11H2,1-2H3,(H,19,20)
InChIKeyWTSMIXPDQSXVKW-UHFFFAOYSA-N
XLogP2.88
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-diethylpyrazol-1-yl)-2-methylpropanoic acid
CID 82693106
3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-phenylpropanoic acid
CID 63074617
2-(3-chlorophenyl)-3-(1,3-diethylpyrazol-5-yl)propanoic acid
CID 79431093
2-(3-bromophenyl)-3-(1,3-diethylpyrazol-5-yl)propanoic acid
CID 79431382
1-(3,5-diethylpyrazol-1-yl)butan-2-ol
CID 82694356
2-(4-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid
CID 79434391
3-(3-ethyl-1-methylpyrazol-5-yl)-1-methoxy-1-phenylpropan-2-one
CID 116751403
(2R)-1-(3,5-diethylpyrazol-1-yl)propan-2-amine
CID 103934891
(2R)-2-(3,5-diethylpyrazol-1-yl)propanoic acid
CID 107427777
methyl 3-(3,5-diethylpyrazol-1-yl)-2-(methylamino)propanoate
CID 82694733
3-(2,2-dimethylhydrazinyl)-2-phenylpropanoic acid
CID 83013948
3,5-diethyl-1-propylpyrazole
CID 82699697

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-diethylpyrazol-1-yl)-2-phenylpropanoic acid?
The IUPAC name of 3-(3,5-diethylpyrazol-1-yl)-2-phenylpropanoic acid (CID 82692790) is 3-(3,5-diethylpyrazol-1-yl)-2-phenylpropanoic acid.
What is the SMILES notation for 3-(3,5-diethylpyrazol-1-yl)-2-phenylpropanoic acid?
The canonical SMILES for 3-(3,5-diethylpyrazol-1-yl)-2-phenylpropanoic acid is CCc1cc(CC)n(CC(C(=O)O)c2ccccc2)n1.
What is the InChIKey of 3-(3,5-diethylpyrazol-1-yl)-2-phenylpropanoic acid?
The InChIKey is WTSMIXPDQSXVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-13-10-14(4-2)18(17-13)11-15(16(19)20)12-8-6-5-7-9-12/h5-10,15H,3-4,11H2,1-2H3,(H,19,20).
What are the key properties of 3-(3,5-diethylpyrazol-1-yl)-2-phenylpropanoic acid?
3-(3,5-diethylpyrazol-1-yl)-2-phenylpropanoic acid has a molecular weight of 272.35 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-diethylpyrazol-1-yl)-2-phenylpropanoic acid is sourced from PubChem (CID 82692790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).