2-(3-amino-5-methylpyrazol-1-yl)propanoic acid

C7H11N3O2 — CID 19620619

IUPAC2-(3-amino-5-methylpyrazol-1-yl)propanoic acid
SMILESCc1cc(N)nn1C(C)C(=O)O
InChIInChI=1S/C7H11N3O2/c1-4-3-6(8)9-10(4)5(2)7(11)12/h3,5H,1-2H3,(H2,8,9)(H,11,12)
InChIKeySENKNPGXPNQRAN-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.42
Rot. Bonds2

About 2-(3-amino-5-methylpyrazol-1-yl)propanoic acid

2-(3-amino-5-methylpyrazol-1-yl)propanoic acid (PubChem CID 19620619) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-(3-amino-5-methylpyrazol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(3-amino-5-methylpyrazol-1-yl)propanoic acid
PubChem CID19620619
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name2-(3-amino-5-methylpyrazol-1-yl)propanoic acid
SMILESCc1cc(N)nn1C(C)C(=O)O
InChIInChI=1S/C7H11N3O2/c1-4-3-6(8)9-10(4)5(2)7(11)12/h3,5H,1-2H3,(H2,8,9)(H,11,12)
InChIKeySENKNPGXPNQRAN-UHFFFAOYSA-N
XLogP0.42
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-methylpyrazol-1-yl)propanoic acid?
The IUPAC name of 2-(3-amino-5-methylpyrazol-1-yl)propanoic acid (CID 19620619) is 2-(3-amino-5-methylpyrazol-1-yl)propanoic acid.
What is the SMILES notation for 2-(3-amino-5-methylpyrazol-1-yl)propanoic acid?
The canonical SMILES for 2-(3-amino-5-methylpyrazol-1-yl)propanoic acid is Cc1cc(N)nn1C(C)C(=O)O.
What is the InChIKey of 2-(3-amino-5-methylpyrazol-1-yl)propanoic acid?
The InChIKey is SENKNPGXPNQRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-4-3-6(8)9-10(4)5(2)7(11)12/h3,5H,1-2H3,(H2,8,9)(H,11,12).
What are the key properties of 2-(3-amino-5-methylpyrazol-1-yl)propanoic acid?
2-(3-amino-5-methylpyrazol-1-yl)propanoic acid has a molecular weight of 169.18 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-methylpyrazol-1-yl)propanoic acid is sourced from PubChem (CID 19620619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).