(1-hydroxypyrazol-4-yl)methanamine

C4H7N3O — CID 71582755

IUPAC(1-hydroxypyrazol-4-yl)methanamine
SMILESNCc1cnn(O)c1
InChIInChI=1S/C4H7N3O/c5-1-4-2-6-7(8)3-4/h2-3,8H,1,5H2
InChIKeySGFQVPARKZCZOT-UHFFFAOYSA-N
MW113.12 g/mol
LogP-0.42
Rot. Bonds1

About (1-hydroxypyrazol-4-yl)methanamine

(1-hydroxypyrazol-4-yl)methanamine (PubChem CID 71582755) has the molecular formula C4H7N3O and a molecular weight of 113.12 g/mol. Its IUPAC name is (1-hydroxypyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(1-hydroxypyrazol-4-yl)methanamine
PubChem CID71582755
Molecular FormulaC4H7N3O
Molecular Weight113.12 g/mol
Exact Mass113.06
IUPAC Name(1-hydroxypyrazol-4-yl)methanamine
SMILESNCc1cnn(O)c1
InChIInChI=1S/C4H7N3O/c5-1-4-2-6-7(8)3-4/h2-3,8H,1,5H2
InChIKeySGFQVPARKZCZOT-UHFFFAOYSA-N
XLogP-0.42
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-hydroxypyrazol-4-yl)methanamine?
The IUPAC name of (1-hydroxypyrazol-4-yl)methanamine (CID 71582755) is (1-hydroxypyrazol-4-yl)methanamine.
What is the SMILES notation for (1-hydroxypyrazol-4-yl)methanamine?
The canonical SMILES for (1-hydroxypyrazol-4-yl)methanamine is NCc1cnn(O)c1.
What is the InChIKey of (1-hydroxypyrazol-4-yl)methanamine?
The InChIKey is SGFQVPARKZCZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O/c5-1-4-2-6-7(8)3-4/h2-3,8H,1,5H2.
What are the key properties of (1-hydroxypyrazol-4-yl)methanamine?
(1-hydroxypyrazol-4-yl)methanamine has a molecular weight of 113.12 g/mol, XLogP of -0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxypyrazol-4-yl)methanamine is sourced from PubChem (CID 71582755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).