1-(oxan-4-yl)pyrazol-4-amine;hydrochloride

C8H14ClN3O — CID 90281334

IUPAC1-(oxan-4-yl)pyrazol-4-amine;hydrochloride
SMILESCl.Nc1cnn(C2CCOCC2)c1
InChIInChI=1S/C8H13N3O.ClH/c9-7-5-10-11(6-7)8-1-3-12-4-2-8;/h5-6,8H,1-4,9H2;1H
InChIKeyNYNAGDWBIHVAGM-UHFFFAOYSA-N
MW203.67 g/mol
LogP1.24
Rot. Bonds1

About 1-(oxan-4-yl)pyrazol-4-amine;hydrochloride

1-(oxan-4-yl)pyrazol-4-amine;hydrochloride (PubChem CID 90281334) has the molecular formula C8H14ClN3O and a molecular weight of 203.67 g/mol. Its IUPAC name is 1-(oxan-4-yl)pyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(oxan-4-yl)pyrazol-4-amine;hydrochloride
PubChem CID90281334
Molecular FormulaC8H14ClN3O
Molecular Weight203.67 g/mol
Exact Mass203.08
IUPAC Name1-(oxan-4-yl)pyrazol-4-amine;hydrochloride
SMILESCl.Nc1cnn(C2CCOCC2)c1
InChIInChI=1S/C8H13N3O.ClH/c9-7-5-10-11(6-7)8-1-3-12-4-2-8;/h5-6,8H,1-4,9H2;1H
InChIKeyNYNAGDWBIHVAGM-UHFFFAOYSA-N
XLogP1.24
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(oxan-4-yl)pyrazol-4-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)pyrazol-4-amine;hydrochloride?
The IUPAC name of 1-(oxan-4-yl)pyrazol-4-amine;hydrochloride (CID 90281334) is 1-(oxan-4-yl)pyrazol-4-amine;hydrochloride.
What is the SMILES notation for 1-(oxan-4-yl)pyrazol-4-amine;hydrochloride?
The canonical SMILES for 1-(oxan-4-yl)pyrazol-4-amine;hydrochloride is Cl.Nc1cnn(C2CCOCC2)c1.
What is the InChIKey of 1-(oxan-4-yl)pyrazol-4-amine;hydrochloride?
The InChIKey is NYNAGDWBIHVAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O.ClH/c9-7-5-10-11(6-7)8-1-3-12-4-2-8;/h5-6,8H,1-4,9H2;1H.
What are the key properties of 1-(oxan-4-yl)pyrazol-4-amine;hydrochloride?
1-(oxan-4-yl)pyrazol-4-amine;hydrochloride has a molecular weight of 203.67 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)pyrazol-4-amine;hydrochloride is sourced from PubChem (CID 90281334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).