(3-ethyl-1-hydroxypyrazol-4-yl)methanamine

C6H11N3O — CID 71561439

IUPAC(3-ethyl-1-hydroxypyrazol-4-yl)methanamine
SMILESCCc1nn(O)cc1CN
InChIInChI=1S/C6H11N3O/c1-2-6-5(3-7)4-9(10)8-6/h4,10H,2-3,7H2,1H3
InChIKeyARQMDSGPKJNMDQ-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.14
Rot. Bonds2

About (3-ethyl-1-hydroxypyrazol-4-yl)methanamine

(3-ethyl-1-hydroxypyrazol-4-yl)methanamine (PubChem CID 71561439) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is (3-ethyl-1-hydroxypyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(3-ethyl-1-hydroxypyrazol-4-yl)methanamine
PubChem CID71561439
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name(3-ethyl-1-hydroxypyrazol-4-yl)methanamine
SMILESCCc1nn(O)cc1CN
InChIInChI=1S/C6H11N3O/c1-2-6-5(3-7)4-9(10)8-6/h4,10H,2-3,7H2,1H3
InChIKeyARQMDSGPKJNMDQ-UHFFFAOYSA-N
XLogP0.14
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.14
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 (3-ethyl-1-hydroxypyrazol-4-yl)methanamine?
The IUPAC name of (3-ethyl-1-hydroxypyrazol-4-yl)methanamine (CID 71561439) is (3-ethyl-1-hydroxypyrazol-4-yl)methanamine.
What is the SMILES notation for (3-ethyl-1-hydroxypyrazol-4-yl)methanamine?
The canonical SMILES for (3-ethyl-1-hydroxypyrazol-4-yl)methanamine is CCc1nn(O)cc1CN.
What is the InChIKey of (3-ethyl-1-hydroxypyrazol-4-yl)methanamine?
The InChIKey is ARQMDSGPKJNMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-2-6-5(3-7)4-9(10)8-6/h4,10H,2-3,7H2,1H3.
What are the key properties of (3-ethyl-1-hydroxypyrazol-4-yl)methanamine?
(3-ethyl-1-hydroxypyrazol-4-yl)methanamine has a molecular weight of 141.17 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-hydroxypyrazol-4-yl)methanamine is sourced from PubChem (CID 71561439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).