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

C14H24N2O2 — CID 79219439

IUPAC2-[3,5-diethyl-1-(3-methylbutyl)pyrazol-4-yl]acetic acid
SMILESCCc1nn(CCC(C)C)c(CC)c1CC(=O)O
InChIInChI=1S/C14H24N2O2/c1-5-12-11(9-14(17)18)13(6-2)16(15-12)8-7-10(3)4/h10H,5-9H2,1-4H3,(H,17,18)
InChIKeyDIZBDXBNXBTPDB-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.68
Rot. Bonds7

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

2-[3,5-diethyl-1-(3-methylbutyl)pyrazol-4-yl]acetic acid (PubChem CID 79219439) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[3,5-diethyl-1-(3-methylbutyl)pyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[3,5-diethyl-1-(3-methylbutyl)pyrazol-4-yl]acetic acid
PubChem CID79219439
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-[3,5-diethyl-1-(3-methylbutyl)pyrazol-4-yl]acetic acid
SMILESCCc1nn(CCC(C)C)c(CC)c1CC(=O)O
InChIInChI=1S/C14H24N2O2/c1-5-12-11(9-14(17)18)13(6-2)16(15-12)8-7-10(3)4/h10H,5-9H2,1-4H3,(H,17,18)
InChIKeyDIZBDXBNXBTPDB-UHFFFAOYSA-N
XLogP2.68
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.68
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-(3-methylbutyl)pyrazol-4-yl]acetic acid?
The IUPAC name of 2-[3,5-diethyl-1-(3-methylbutyl)pyrazol-4-yl]acetic acid (CID 79219439) is 2-[3,5-diethyl-1-(3-methylbutyl)pyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[3,5-diethyl-1-(3-methylbutyl)pyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[3,5-diethyl-1-(3-methylbutyl)pyrazol-4-yl]acetic acid is CCc1nn(CCC(C)C)c(CC)c1CC(=O)O.
What is the InChIKey of 2-[3,5-diethyl-1-(3-methylbutyl)pyrazol-4-yl]acetic acid?
The InChIKey is DIZBDXBNXBTPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-5-12-11(9-14(17)18)13(6-2)16(15-12)8-7-10(3)4/h10H,5-9H2,1-4H3,(H,17,18).
What are the key properties of 2-[3,5-diethyl-1-(3-methylbutyl)pyrazol-4-yl]acetic acid?
2-[3,5-diethyl-1-(3-methylbutyl)pyrazol-4-yl]acetic acid has a molecular weight of 252.36 g/mol, XLogP of 2.68, 7 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-(3-methylbutyl)pyrazol-4-yl]acetic acid is sourced from PubChem (CID 79219439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).