3-(3,5-diethyl-1H-pyrazol-4-yl)propanoic acid

C10H16N2O2 — CID 50987855

IUPAC3-(3,5-diethyl-1H-pyrazol-4-yl)propanoic acid
SMILESCCc1n[nH]c(CC)c1CCC(=O)O
InChIInChI=1S/C10H16N2O2/c1-3-8-7(5-6-10(13)14)9(4-2)12-11-8/h3-6H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyZKBZFIQSPOZKGE-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.55
Rot. Bonds5

About 3-(3,5-diethyl-1H-pyrazol-4-yl)propanoic acid

3-(3,5-diethyl-1H-pyrazol-4-yl)propanoic acid (PubChem CID 50987855) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-(3,5-diethyl-1H-pyrazol-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(3,5-diethyl-1H-pyrazol-4-yl)propanoic acid
PubChem CID50987855
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-(3,5-diethyl-1H-pyrazol-4-yl)propanoic acid
SMILESCCc1n[nH]c(CC)c1CCC(=O)O
InChIInChI=1S/C10H16N2O2/c1-3-8-7(5-6-10(13)14)9(4-2)12-11-8/h3-6H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyZKBZFIQSPOZKGE-UHFFFAOYSA-N
XLogP1.55
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-diethyl-1H-pyrazol-4-yl)propanoic acid?
The IUPAC name of 3-(3,5-diethyl-1H-pyrazol-4-yl)propanoic acid (CID 50987855) is 3-(3,5-diethyl-1H-pyrazol-4-yl)propanoic acid.
What is the SMILES notation for 3-(3,5-diethyl-1H-pyrazol-4-yl)propanoic acid?
The canonical SMILES for 3-(3,5-diethyl-1H-pyrazol-4-yl)propanoic acid is CCc1n[nH]c(CC)c1CCC(=O)O.
What is the InChIKey of 3-(3,5-diethyl-1H-pyrazol-4-yl)propanoic acid?
The InChIKey is ZKBZFIQSPOZKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-8-7(5-6-10(13)14)9(4-2)12-11-8/h3-6H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 3-(3,5-diethyl-1H-pyrazol-4-yl)propanoic acid?
3-(3,5-diethyl-1H-pyrazol-4-yl)propanoic acid has a molecular weight of 196.25 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-diethyl-1H-pyrazol-4-yl)propanoic acid is sourced from PubChem (CID 50987855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).