2-(1-ethyl-5-propylpyrazol-4-yl)propanoic acid

C11H18N2O2 — CID 105464288

IUPAC2-(1-ethyl-5-propylpyrazol-4-yl)propanoic acid
SMILESCCCc1c(C(C)C(=O)O)cnn1CC
InChIInChI=1S/C11H18N2O2/c1-4-6-10-9(8(3)11(14)15)7-12-13(10)5-2/h7-8H,4-6H2,1-3H3,(H,14,15)
InChIKeyWSVLACSBHMOPQJ-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.04
Rot. Bonds5

About 2-(1-ethyl-5-propylpyrazol-4-yl)propanoic acid

2-(1-ethyl-5-propylpyrazol-4-yl)propanoic acid (PubChem CID 105464288) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-(1-ethyl-5-propylpyrazol-4-yl)propanoic acid.

Molecular Properties

Compound Name2-(1-ethyl-5-propylpyrazol-4-yl)propanoic acid
PubChem CID105464288
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-(1-ethyl-5-propylpyrazol-4-yl)propanoic acid
SMILESCCCc1c(C(C)C(=O)O)cnn1CC
InChIInChI=1S/C11H18N2O2/c1-4-6-10-9(8(3)11(14)15)7-12-13(10)5-2/h7-8H,4-6H2,1-3H3,(H,14,15)
InChIKeyWSVLACSBHMOPQJ-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethyl-5-propylpyrazol-4-yl)ethanamine
CID 105439739
2-[1-methyl-5-(2-methylpropyl)pyrazol-4-yl]propanoic acid
CID 105464311
1-(1,5-diethylpyrazol-4-yl)ethanamine
CID 23005787
4-(bromomethyl)-1-ethyl-5-propylpyrazole
CID 66437286
2-(1-ethylindazol-5-yl)propanoic acid
CID 84724339
1-(2-methylpropyl)-5-propylpyrazole-4-carboxylic acid
CID 43145815
4-bromo-1-ethyl-5-propylpyrazole
CID 105470593
3-amino-2-(5-bromo-1-ethylpyrazol-4-yl)propanoic acid
CID 84806940
1-(4-bromo-1-ethylpyrazol-5-yl)hexan-3-one
CID 114663551
2-amino-2-(5-methyl-1-propylpyrazol-4-yl)acetic acid
CID 112713062
2-(5-bromo-1-propan-2-ylpyrazol-4-yl)propanoic acid
CID 84806699
2-(3-methyl-1-propylpyrazol-4-yl)propanoic acid
CID 83879852

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-5-propylpyrazol-4-yl)propanoic acid?
The IUPAC name of 2-(1-ethyl-5-propylpyrazol-4-yl)propanoic acid (CID 105464288) is 2-(1-ethyl-5-propylpyrazol-4-yl)propanoic acid.
What is the SMILES notation for 2-(1-ethyl-5-propylpyrazol-4-yl)propanoic acid?
The canonical SMILES for 2-(1-ethyl-5-propylpyrazol-4-yl)propanoic acid is CCCc1c(C(C)C(=O)O)cnn1CC.
What is the InChIKey of 2-(1-ethyl-5-propylpyrazol-4-yl)propanoic acid?
The InChIKey is WSVLACSBHMOPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-4-6-10-9(8(3)11(14)15)7-12-13(10)5-2/h7-8H,4-6H2,1-3H3,(H,14,15).
What are the key properties of 2-(1-ethyl-5-propylpyrazol-4-yl)propanoic acid?
2-(1-ethyl-5-propylpyrazol-4-yl)propanoic acid has a molecular weight of 210.28 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-5-propylpyrazol-4-yl)propanoic acid is sourced from PubChem (CID 105464288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).