[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methanamine

C13H21N3O2 — CID 121229407

IUPAC[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methanamine
SMILESNCC1OCCc2cn(CC3CCOCC3)nc21
InChIInChI=1S/C13H21N3O2/c14-7-12-13-11(3-6-18-12)9-16(15-13)8-10-1-4-17-5-2-10/h9-10,12H,1-8,14H2
InChIKeyMMHVKQOJAXAYNK-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.88
Rot. Bonds3

About [2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methanamine

[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methanamine (PubChem CID 121229407) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is [2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methanamine.

Molecular Properties

Compound Name[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methanamine
PubChem CID121229407
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methanamine
SMILESNCC1OCCc2cn(CC3CCOCC3)nc21
InChIInChI=1S/C13H21N3O2/c14-7-12-13-11(3-6-18-12)9-16(15-13)8-10-1-4-17-5-2-10/h9-10,12H,1-8,14H2
InChIKeyMMHVKQOJAXAYNK-UHFFFAOYSA-N
XLogP0.88
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methanamine 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 [2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methanamine?
The IUPAC name of [2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methanamine (CID 121229407) is [2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methanamine.
What is the SMILES notation for [2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methanamine?
The canonical SMILES for [2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methanamine is NCC1OCCc2cn(CC3CCOCC3)nc21.
What is the InChIKey of [2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methanamine?
The InChIKey is MMHVKQOJAXAYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c14-7-12-13-11(3-6-18-12)9-16(15-13)8-10-1-4-17-5-2-10/h9-10,12H,1-8,14H2.
What are the key properties of [2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methanamine?
[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methanamine has a molecular weight of 251.33 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methanamine is sourced from PubChem (CID 121229407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).