2-amino-3-(5-propyl-1H-pyrazol-4-yl)propanoic acid

C9H15N3O2 — CID 55267482

IUPAC2-amino-3-(5-propyl-1H-pyrazol-4-yl)propanoic acid
SMILESCCCc1[nH]ncc1CC(N)C(=O)O
InChIInChI=1S/C9H15N3O2/c1-2-3-8-6(5-11-12-8)4-7(10)9(13)14/h5,7H,2-4,10H2,1H3,(H,11,12)(H,13,14)
InChIKeyKZIMHQBNKLVDHD-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.32
Rot. Bonds5

About 2-amino-3-(5-propyl-1H-pyrazol-4-yl)propanoic acid

2-amino-3-(5-propyl-1H-pyrazol-4-yl)propanoic acid (PubChem CID 55267482) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-amino-3-(5-propyl-1H-pyrazol-4-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(5-propyl-1H-pyrazol-4-yl)propanoic acid
PubChem CID55267482
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-amino-3-(5-propyl-1H-pyrazol-4-yl)propanoic acid
SMILESCCCc1[nH]ncc1CC(N)C(=O)O
InChIInChI=1S/C9H15N3O2/c1-2-3-8-6(5-11-12-8)4-7(10)9(13)14/h5,7H,2-4,10H2,1H3,(H,11,12)(H,13,14)
InChIKeyKZIMHQBNKLVDHD-UHFFFAOYSA-N
XLogP0.32
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(5-propyl-1H-pyrazol-4-yl)propanoic acid?
The IUPAC name of 2-amino-3-(5-propyl-1H-pyrazol-4-yl)propanoic acid (CID 55267482) is 2-amino-3-(5-propyl-1H-pyrazol-4-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(5-propyl-1H-pyrazol-4-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(5-propyl-1H-pyrazol-4-yl)propanoic acid is CCCc1[nH]ncc1CC(N)C(=O)O.
What is the InChIKey of 2-amino-3-(5-propyl-1H-pyrazol-4-yl)propanoic acid?
The InChIKey is KZIMHQBNKLVDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-2-3-8-6(5-11-12-8)4-7(10)9(13)14/h5,7H,2-4,10H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-amino-3-(5-propyl-1H-pyrazol-4-yl)propanoic acid?
2-amino-3-(5-propyl-1H-pyrazol-4-yl)propanoic acid has a molecular weight of 197.24 g/mol, XLogP of 0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(5-propyl-1H-pyrazol-4-yl)propanoic acid is sourced from PubChem (CID 55267482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).