3-(5-amino-1H-pyrazol-4-yl)-2,3-dihydroxypropanoic acid

C6H9N3O4 — CID 170823402

IUPAC3-(5-amino-1H-pyrazol-4-yl)-2,3-dihydroxypropanoic acid
SMILESNc1[nH]ncc1C(O)C(O)C(=O)O
InChIInChI=1S/C6H9N3O4/c7-5-2(1-8-9-5)3(10)4(11)6(12)13/h1,3-4,10-11H,(H,12,13)(H3,7,8,9)
InChIKeyLDCPSXFKUJUZLA-UHFFFAOYSA-N
MW187.16 g/mol
LogP-1.53
Rot. Bonds3

About 3-(5-amino-1H-pyrazol-4-yl)-2,3-dihydroxypropanoic acid

3-(5-amino-1H-pyrazol-4-yl)-2,3-dihydroxypropanoic acid (PubChem CID 170823402) has the molecular formula C6H9N3O4 and a molecular weight of 187.16 g/mol. Its IUPAC name is 3-(5-amino-1H-pyrazol-4-yl)-2,3-dihydroxypropanoic acid.

Molecular Properties

Compound Name3-(5-amino-1H-pyrazol-4-yl)-2,3-dihydroxypropanoic acid
PubChem CID170823402
Molecular FormulaC6H9N3O4
Molecular Weight187.16 g/mol
Exact Mass187.06
IUPAC Name3-(5-amino-1H-pyrazol-4-yl)-2,3-dihydroxypropanoic acid
SMILESNc1[nH]ncc1C(O)C(O)C(=O)O
InChIInChI=1S/C6H9N3O4/c7-5-2(1-8-9-5)3(10)4(11)6(12)13/h1,3-4,10-11H,(H,12,13)(H3,7,8,9)
InChIKeyLDCPSXFKUJUZLA-UHFFFAOYSA-N
XLogP-1.53
TPSA132.46 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.16
LogP ≤ 5-1.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-1H-pyrazol-4-yl)-2,3-dihydroxypropanoic acid?
The IUPAC name of 3-(5-amino-1H-pyrazol-4-yl)-2,3-dihydroxypropanoic acid (CID 170823402) is 3-(5-amino-1H-pyrazol-4-yl)-2,3-dihydroxypropanoic acid.
What is the SMILES notation for 3-(5-amino-1H-pyrazol-4-yl)-2,3-dihydroxypropanoic acid?
The canonical SMILES for 3-(5-amino-1H-pyrazol-4-yl)-2,3-dihydroxypropanoic acid is Nc1[nH]ncc1C(O)C(O)C(=O)O.
What is the InChIKey of 3-(5-amino-1H-pyrazol-4-yl)-2,3-dihydroxypropanoic acid?
The InChIKey is LDCPSXFKUJUZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O4/c7-5-2(1-8-9-5)3(10)4(11)6(12)13/h1,3-4,10-11H,(H,12,13)(H3,7,8,9).
What are the key properties of 3-(5-amino-1H-pyrazol-4-yl)-2,3-dihydroxypropanoic acid?
3-(5-amino-1H-pyrazol-4-yl)-2,3-dihydroxypropanoic acid has a molecular weight of 187.16 g/mol, XLogP of -1.53, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-1H-pyrazol-4-yl)-2,3-dihydroxypropanoic acid is sourced from PubChem (CID 170823402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).