[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(1-propylpyrazol-4-yl)methanol

C14H23N3O2 — CID 103573535

IUPAC[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(1-propylpyrazol-4-yl)methanol
SMILESCCCn1cc(C(O)C2(CN)CC3CCC2O3)cn1
InChIInChI=1S/C14H23N3O2/c1-2-5-17-8-10(7-16-17)13(18)14(9-15)6-11-3-4-12(14)19-11/h7-8,11-13,18H,2-6,9,15H2,1H3
InChIKeyDKHZPOSILSMDIH-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.22
Rot. Bonds5

About [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(1-propylpyrazol-4-yl)methanol

[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(1-propylpyrazol-4-yl)methanol (PubChem CID 103573535) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(1-propylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(1-propylpyrazol-4-yl)methanol
PubChem CID103573535
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(1-propylpyrazol-4-yl)methanol
SMILESCCCn1cc(C(O)C2(CN)CC3CCC2O3)cn1
InChIInChI=1S/C14H23N3O2/c1-2-5-17-8-10(7-16-17)13(18)14(9-15)6-11-3-4-12(14)19-11/h7-8,11-13,18H,2-6,9,15H2,1H3
InChIKeyDKHZPOSILSMDIH-UHFFFAOYSA-N
XLogP1.22
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(1-propylpyrazol-4-yl)methanol 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-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(1-propylpyrazol-4-yl)methanol?
The IUPAC name of [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(1-propylpyrazol-4-yl)methanol (CID 103573535) is [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(1-propylpyrazol-4-yl)methanol.
What is the SMILES notation for [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(1-propylpyrazol-4-yl)methanol?
The canonical SMILES for [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(1-propylpyrazol-4-yl)methanol is CCCn1cc(C(O)C2(CN)CC3CCC2O3)cn1.
What is the InChIKey of [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(1-propylpyrazol-4-yl)methanol?
The InChIKey is DKHZPOSILSMDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-5-17-8-10(7-16-17)13(18)14(9-15)6-11-3-4-12(14)19-11/h7-8,11-13,18H,2-6,9,15H2,1H3.
What are the key properties of [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(1-propylpyrazol-4-yl)methanol?
[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(1-propylpyrazol-4-yl)methanol has a molecular weight of 265.36 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-(1-propylpyrazol-4-yl)methanol is sourced from PubChem (CID 103573535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).