2,2-diethyl-4-(2-methylpyrazol-3-yl)butanoic acid

C12H20N2O2 — CID 103005061

IUPAC2,2-diethyl-4-(2-methylpyrazol-3-yl)butanoic acid
SMILESCCC(CC)(CCc1ccnn1C)C(=O)O
InChIInChI=1S/C12H20N2O2/c1-4-12(5-2,11(15)16)8-6-10-7-9-13-14(10)3/h7,9H,4-6,8H2,1-3H3,(H,15,16)
InChIKeyYVJYBTNWENWTAJ-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.24
Rot. Bonds6

About 2,2-diethyl-4-(2-methylpyrazol-3-yl)butanoic acid

2,2-diethyl-4-(2-methylpyrazol-3-yl)butanoic acid (PubChem CID 103005061) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2,2-diethyl-4-(2-methylpyrazol-3-yl)butanoic acid.

Molecular Properties

Compound Name2,2-diethyl-4-(2-methylpyrazol-3-yl)butanoic acid
PubChem CID103005061
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2,2-diethyl-4-(2-methylpyrazol-3-yl)butanoic acid
SMILESCCC(CC)(CCc1ccnn1C)C(=O)O
InChIInChI=1S/C12H20N2O2/c1-4-12(5-2,11(15)16)8-6-10-7-9-13-14(10)3/h7,9H,4-6,8H2,1-3H3,(H,15,16)
InChIKeyYVJYBTNWENWTAJ-UHFFFAOYSA-N
XLogP2.24
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 103006315
5-[3,3-bis(chloromethyl)pentyl]-1-methylpyrazole
CID 103018946
5-[3-(chloromethyl)-3-methylpentyl]-1-methylpyrazole
CID 103018236
2-methyl-2-[3-(2-methylpyrazol-3-yl)propanoylamino]pentanoic acid
CID 120517076
2,2,3-trimethyl-3-[2-(2-methylpyrazol-3-yl)ethylamino]butanoic acid
CID 103004839
11-(2-methylpyrazol-3-yl)undecanoic acid
CID 10778184
2-methyl-4-(2-methylpyrazol-3-yl)butanoic acid
CID 103005024
2-methyl-2-[methyl-[3-(2-methylpyrazol-3-yl)propanoyl]amino]propanoic acid
CID 120518879
4-ethyl-1-(2-methylpyrazol-3-yl)hexan-3-one
CID 103024188
2-[ethyl-[2-(2-methylpyrazol-3-yl)ethyl]amino]acetic acid
CID 103004737
N-tert-butyl-2-ethyl-2-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine
CID 103014546
2-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid
CID 79801072

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-4-(2-methylpyrazol-3-yl)butanoic acid?
The IUPAC name of 2,2-diethyl-4-(2-methylpyrazol-3-yl)butanoic acid (CID 103005061) is 2,2-diethyl-4-(2-methylpyrazol-3-yl)butanoic acid.
What is the SMILES notation for 2,2-diethyl-4-(2-methylpyrazol-3-yl)butanoic acid?
The canonical SMILES for 2,2-diethyl-4-(2-methylpyrazol-3-yl)butanoic acid is CCC(CC)(CCc1ccnn1C)C(=O)O.
What is the InChIKey of 2,2-diethyl-4-(2-methylpyrazol-3-yl)butanoic acid?
The InChIKey is YVJYBTNWENWTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-4-12(5-2,11(15)16)8-6-10-7-9-13-14(10)3/h7,9H,4-6,8H2,1-3H3,(H,15,16).
What are the key properties of 2,2-diethyl-4-(2-methylpyrazol-3-yl)butanoic acid?
2,2-diethyl-4-(2-methylpyrazol-3-yl)butanoic acid has a molecular weight of 224.30 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-4-(2-methylpyrazol-3-yl)butanoic acid is sourced from PubChem (CID 103005061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).