2-(3-methyl-1-propylpyrazol-4-yl)propanoic acid

C10H16N2O2 — CID 83879852

IUPAC2-(3-methyl-1-propylpyrazol-4-yl)propanoic acid
SMILESCCCn1cc(C(C)C(=O)O)c(C)n1
InChIInChI=1S/C10H16N2O2/c1-4-5-12-6-9(8(3)11-12)7(2)10(13)14/h6-7H,4-5H2,1-3H3,(H,13,14)
InChIKeyBIBXZISTGMZSBY-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.79
Rot. Bonds4

About 2-(3-methyl-1-propylpyrazol-4-yl)propanoic acid

2-(3-methyl-1-propylpyrazol-4-yl)propanoic acid (PubChem CID 83879852) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(3-methyl-1-propylpyrazol-4-yl)propanoic acid.

Molecular Properties

Compound Name2-(3-methyl-1-propylpyrazol-4-yl)propanoic acid
PubChem CID83879852
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-(3-methyl-1-propylpyrazol-4-yl)propanoic acid
SMILESCCCn1cc(C(C)C(=O)O)c(C)n1
InChIInChI=1S/C10H16N2O2/c1-4-5-12-6-9(8(3)11-12)7(2)10(13)14/h6-7H,4-5H2,1-3H3,(H,13,14)
InChIKeyBIBXZISTGMZSBY-UHFFFAOYSA-N
XLogP1.79
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1-propylpyrazol-4-yl)propanoic acid?
The IUPAC name of 2-(3-methyl-1-propylpyrazol-4-yl)propanoic acid (CID 83879852) is 2-(3-methyl-1-propylpyrazol-4-yl)propanoic acid.
What is the SMILES notation for 2-(3-methyl-1-propylpyrazol-4-yl)propanoic acid?
The canonical SMILES for 2-(3-methyl-1-propylpyrazol-4-yl)propanoic acid is CCCn1cc(C(C)C(=O)O)c(C)n1.
What is the InChIKey of 2-(3-methyl-1-propylpyrazol-4-yl)propanoic acid?
The InChIKey is BIBXZISTGMZSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-4-5-12-6-9(8(3)11-12)7(2)10(13)14/h6-7H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 2-(3-methyl-1-propylpyrazol-4-yl)propanoic acid?
2-(3-methyl-1-propylpyrazol-4-yl)propanoic acid has a molecular weight of 196.25 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1-propylpyrazol-4-yl)propanoic acid is sourced from PubChem (CID 83879852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).