N-(oxan-4-yl)-1H-pyrazol-4-amine

C8H13N3O — CID 43608645

IUPACN-(oxan-4-yl)-1H-pyrazol-4-amine
SMILESc1n[nH]cc1NC1CCOCC1
InChIInChI=1S/C8H13N3O/c1-3-12-4-2-7(1)11-8-5-9-10-6-8/h5-7,11H,1-4H2,(H,9,10)
InChIKeyHRMQZEBKCDOHSZ-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.00
Rot. Bonds2

About N-(oxan-4-yl)-1H-pyrazol-4-amine

N-(oxan-4-yl)-1H-pyrazol-4-amine (PubChem CID 43608645) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N-(oxan-4-yl)-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-(oxan-4-yl)-1H-pyrazol-4-amine
PubChem CID43608645
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN-(oxan-4-yl)-1H-pyrazol-4-amine
SMILESc1n[nH]cc1NC1CCOCC1
InChIInChI=1S/C8H13N3O/c1-3-12-4-2-7(1)11-8-5-9-10-6-8/h5-7,11H,1-4H2,(H,9,10)
InChIKeyHRMQZEBKCDOHSZ-UHFFFAOYSA-N
XLogP1.00
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(oxan-4-yl)-1H-pyrazol-4-amine 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 N-(oxan-4-yl)-1H-pyrazol-4-amine?
The IUPAC name of N-(oxan-4-yl)-1H-pyrazol-4-amine (CID 43608645) is N-(oxan-4-yl)-1H-pyrazol-4-amine.
What is the SMILES notation for N-(oxan-4-yl)-1H-pyrazol-4-amine?
The canonical SMILES for N-(oxan-4-yl)-1H-pyrazol-4-amine is c1n[nH]cc1NC1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-1H-pyrazol-4-amine?
The InChIKey is HRMQZEBKCDOHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-3-12-4-2-7(1)11-8-5-9-10-6-8/h5-7,11H,1-4H2,(H,9,10).
What are the key properties of N-(oxan-4-yl)-1H-pyrazol-4-amine?
N-(oxan-4-yl)-1H-pyrazol-4-amine has a molecular weight of 167.21 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-1H-pyrazol-4-amine is sourced from PubChem (CID 43608645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).