3-formamido-2-(1H-pyrazol-5-yl)propanoic acid

C7H9N3O3 — CID 129204543

IUPAC3-formamido-2-(1H-pyrazol-5-yl)propanoic acid
SMILESO=CNCC(C(=O)O)c1ccn[nH]1
InChIInChI=1S/C7H9N3O3/c11-4-8-3-5(7(12)13)6-1-2-9-10-6/h1-2,4-5H,3H2,(H,8,11)(H,9,10)(H,12,13)
InChIKeyJKHBZBLEWHESKE-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.68
Rot. Bonds5

About 3-formamido-2-(1H-pyrazol-5-yl)propanoic acid

3-formamido-2-(1H-pyrazol-5-yl)propanoic acid (PubChem CID 129204543) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 3-formamido-2-(1H-pyrazol-5-yl)propanoic acid.

Molecular Properties

Compound Name3-formamido-2-(1H-pyrazol-5-yl)propanoic acid
PubChem CID129204543
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name3-formamido-2-(1H-pyrazol-5-yl)propanoic acid
SMILESO=CNCC(C(=O)O)c1ccn[nH]1
InChIInChI=1S/C7H9N3O3/c11-4-8-3-5(7(12)13)6-1-2-9-10-6/h1-2,4-5H,3H2,(H,8,11)(H,9,10)(H,12,13)
InChIKeyJKHBZBLEWHESKE-UHFFFAOYSA-N
XLogP-0.68
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(1H-pyrazol-5-yl)acetic acid hydrochloride
CID 13512450
methyl 2-(1H-pyrazol-5-yl)acetate
CID 50989154
(1H-Pyrazol-5-yl)acetic acid
CID 13512449
3,3-dimethyl-2-(1H-pyrazol-3-yl)butanoic acid
CID 155943302
2-(1H-pyrazol-3-yl)propanoic acid
CID 22367851
Bis(pyrazolyl) acetic acid
CID 66879792
4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine-7-carboxylic acid
CID 25029530
Vinyl pyrazolylpropionate
CID 129766145
2-(1H-pyrazol-3-yl)butanedioic acid
CID 129781472
2-amino-2-(1H-pyrazol-5-yl)propanoic acid
CID 22326352
(2R)-2-amino-2-(1H-pyrazol-5-yl)propanoic acid
CID 57127127
2-(1H-pyrazol-3-yl)butanoic acid
CID 66900721

Frequently Asked Questions

What is the IUPAC name of 3-formamido-2-(1H-pyrazol-5-yl)propanoic acid?
The IUPAC name of 3-formamido-2-(1H-pyrazol-5-yl)propanoic acid (CID 129204543) is 3-formamido-2-(1H-pyrazol-5-yl)propanoic acid.
What is the SMILES notation for 3-formamido-2-(1H-pyrazol-5-yl)propanoic acid?
The canonical SMILES for 3-formamido-2-(1H-pyrazol-5-yl)propanoic acid is O=CNCC(C(=O)O)c1ccn[nH]1.
What is the InChIKey of 3-formamido-2-(1H-pyrazol-5-yl)propanoic acid?
The InChIKey is JKHBZBLEWHESKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c11-4-8-3-5(7(12)13)6-1-2-9-10-6/h1-2,4-5H,3H2,(H,8,11)(H,9,10)(H,12,13).
What are the key properties of 3-formamido-2-(1H-pyrazol-5-yl)propanoic acid?
3-formamido-2-(1H-pyrazol-5-yl)propanoic acid has a molecular weight of 183.17 g/mol, XLogP of -0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formamido-2-(1H-pyrazol-5-yl)propanoic acid is sourced from PubChem (CID 129204543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).