(1-hydroxy-3,5-dimethylpyrazol-4-yl)methanamine

C6H11N3O — CID 71561433

IUPAC(1-hydroxy-3,5-dimethylpyrazol-4-yl)methanamine
SMILESCc1nn(O)c(C)c1CN
InChIInChI=1S/C6H11N3O/c1-4-6(3-7)5(2)9(10)8-4/h10H,3,7H2,1-2H3
InChIKeyPGKPXGATNASRPZ-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.20
Rot. Bonds1

About (1-hydroxy-3,5-dimethylpyrazol-4-yl)methanamine

(1-hydroxy-3,5-dimethylpyrazol-4-yl)methanamine (PubChem CID 71561433) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is (1-hydroxy-3,5-dimethylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(1-hydroxy-3,5-dimethylpyrazol-4-yl)methanamine
PubChem CID71561433
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name(1-hydroxy-3,5-dimethylpyrazol-4-yl)methanamine
SMILESCc1nn(O)c(C)c1CN
InChIInChI=1S/C6H11N3O/c1-4-6(3-7)5(2)9(10)8-4/h10H,3,7H2,1-2H3
InChIKeyPGKPXGATNASRPZ-UHFFFAOYSA-N
XLogP0.20
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.20
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-hydroxy-3,5-dimethylpyrazol-4-yl)methanamine?
The IUPAC name of (1-hydroxy-3,5-dimethylpyrazol-4-yl)methanamine (CID 71561433) is (1-hydroxy-3,5-dimethylpyrazol-4-yl)methanamine.
What is the SMILES notation for (1-hydroxy-3,5-dimethylpyrazol-4-yl)methanamine?
The canonical SMILES for (1-hydroxy-3,5-dimethylpyrazol-4-yl)methanamine is Cc1nn(O)c(C)c1CN.
What is the InChIKey of (1-hydroxy-3,5-dimethylpyrazol-4-yl)methanamine?
The InChIKey is PGKPXGATNASRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-4-6(3-7)5(2)9(10)8-4/h10H,3,7H2,1-2H3.
What are the key properties of (1-hydroxy-3,5-dimethylpyrazol-4-yl)methanamine?
(1-hydroxy-3,5-dimethylpyrazol-4-yl)methanamine has a molecular weight of 141.17 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-3,5-dimethylpyrazol-4-yl)methanamine is sourced from PubChem (CID 71561433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).