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

C11H18N2O2 — CID 82693106

IUPAC3-(3,5-diethylpyrazol-1-yl)-2-methylpropanoic acid
SMILESCCc1cc(CC)n(CC(C)C(=O)O)n1
InChIInChI=1S/C11H18N2O2/c1-4-9-6-10(5-2)13(12-9)7-8(3)11(14)15/h6,8H,4-5,7H2,1-3H3,(H,14,15)
InChIKeyMPWDOVHBKWEZPI-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.73
Rot. Bonds5

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

3-(3,5-diethylpyrazol-1-yl)-2-methylpropanoic acid (PubChem CID 82693106) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-(3,5-diethylpyrazol-1-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(3,5-diethylpyrazol-1-yl)-2-methylpropanoic acid
PubChem CID82693106
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-(3,5-diethylpyrazol-1-yl)-2-methylpropanoic acid
SMILESCCc1cc(CC)n(CC(C)C(=O)O)n1
InChIInChI=1S/C11H18N2O2/c1-4-9-6-10(5-2)13(12-9)7-8(3)11(14)15/h6,8H,4-5,7H2,1-3H3,(H,14,15)
InChIKeyMPWDOVHBKWEZPI-UHFFFAOYSA-N
XLogP1.73
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-diethylpyrazol-1-yl)propan-2-ol
CID 82694148
3-(3,5-diethylpyrazol-1-yl)-2-phenylpropanoic acid
CID 82692790
4-(1,3-diethylpyrazol-5-yl)-2-methylbutanoic acid
CID 81007921
(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
1-(3,5-diethylpyrazol-1-yl)butan-2-ol
CID 82694356
3-(3,5-diethylpyrazol-1-yl)-2-methylpropane-1-thiol
CID 82700558
3-(5-ethyl-1-propan-2-ylpyrazol-3-yl)-2-methylpropanoic acid
CID 105482258
2-(3,5-diethylpyrazol-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 82698622
3,5-diethyl-1-propylpyrazole
CID 82699697
5-(3,5-diethylpyrazol-1-yl)pentanoic acid
CID 82693000

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-diethylpyrazol-1-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(3,5-diethylpyrazol-1-yl)-2-methylpropanoic acid (CID 82693106) is 3-(3,5-diethylpyrazol-1-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(3,5-diethylpyrazol-1-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(3,5-diethylpyrazol-1-yl)-2-methylpropanoic acid is CCc1cc(CC)n(CC(C)C(=O)O)n1.
What is the InChIKey of 3-(3,5-diethylpyrazol-1-yl)-2-methylpropanoic acid?
The InChIKey is MPWDOVHBKWEZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-4-9-6-10(5-2)13(12-9)7-8(3)11(14)15/h6,8H,4-5,7H2,1-3H3,(H,14,15).
What are the key properties of 3-(3,5-diethylpyrazol-1-yl)-2-methylpropanoic acid?
3-(3,5-diethylpyrazol-1-yl)-2-methylpropanoic acid has a molecular weight of 210.28 g/mol, XLogP of 1.73, 5 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-methylpropanoic acid is sourced from PubChem (CID 82693106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).