2-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]acetic acid

C13H22N2O2 — CID 79219765

IUPAC2-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]acetic acid
SMILESCCc1nn(CC(C)C)c(CC)c1CC(=O)O
InChIInChI=1S/C13H22N2O2/c1-5-11-10(7-13(16)17)12(6-2)15(14-11)8-9(3)4/h9H,5-8H2,1-4H3,(H,16,17)
InChIKeyWRXVRBFUTQRJEV-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.29
Rot. Bonds6

About 2-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]acetic acid

2-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]acetic acid (PubChem CID 79219765) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]acetic acid
PubChem CID79219765
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]acetic acid
SMILESCCc1nn(CC(C)C)c(CC)c1CC(=O)O
InChIInChI=1S/C13H22N2O2/c1-5-11-10(7-13(16)17)12(6-2)15(14-11)8-9(3)4/h9H,5-8H2,1-4H3,(H,16,17)
InChIKeyWRXVRBFUTQRJEV-UHFFFAOYSA-N
XLogP2.29
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]acetic acid?
The IUPAC name of 2-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]acetic acid (CID 79219765) is 2-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]acetic acid is CCc1nn(CC(C)C)c(CC)c1CC(=O)O.
What is the InChIKey of 2-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]acetic acid?
The InChIKey is WRXVRBFUTQRJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-5-11-10(7-13(16)17)12(6-2)15(14-11)8-9(3)4/h9H,5-8H2,1-4H3,(H,16,17).
What are the key properties of 2-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]acetic acid?
2-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]acetic acid has a molecular weight of 238.33 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]acetic acid is sourced from PubChem (CID 79219765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).