3-(furan-2-yl)-3-[(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol

C15H21N3O2 — CID 136539179

IUPAC3-(furan-2-yl)-3-[(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol
SMILESCn1cc2c(n1)CCCC2NC(CCO)c1ccco1
InChIInChI=1S/C15H21N3O2/c1-18-10-11-12(4-2-5-13(11)17-18)16-14(7-8-19)15-6-3-9-20-15/h3,6,9-10,12,14,16,19H,2,4-5,7-8H2,1H3
InChIKeyVRMUBOYBHZHJPH-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.10
Rot. Bonds5

About 3-(furan-2-yl)-3-[(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol

3-(furan-2-yl)-3-[(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol (PubChem CID 136539179) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-(furan-2-yl)-3-[(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-(furan-2-yl)-3-[(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol
PubChem CID136539179
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-(furan-2-yl)-3-[(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol
SMILESCn1cc2c(n1)CCCC2NC(CCO)c1ccco1
InChIInChI=1S/C15H21N3O2/c1-18-10-11-12(4-2-5-13(11)17-18)16-14(7-8-19)15-6-3-9-20-15/h3,6,9-10,12,14,16,19H,2,4-5,7-8H2,1H3
InChIKeyVRMUBOYBHZHJPH-UHFFFAOYSA-N
XLogP2.10
TPSA63.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(furan-2-yl)-3-[(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol 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 3-(furan-2-yl)-3-[(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol?
The IUPAC name of 3-(furan-2-yl)-3-[(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol (CID 136539179) is 3-(furan-2-yl)-3-[(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol.
What is the SMILES notation for 3-(furan-2-yl)-3-[(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol?
The canonical SMILES for 3-(furan-2-yl)-3-[(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol is Cn1cc2c(n1)CCCC2NC(CCO)c1ccco1.
What is the InChIKey of 3-(furan-2-yl)-3-[(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol?
The InChIKey is VRMUBOYBHZHJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-18-10-11-12(4-2-5-13(11)17-18)16-14(7-8-19)15-6-3-9-20-15/h3,6,9-10,12,14,16,19H,2,4-5,7-8H2,1H3.
What are the key properties of 3-(furan-2-yl)-3-[(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol?
3-(furan-2-yl)-3-[(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol has a molecular weight of 275.35 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-3-[(2-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]propan-1-ol is sourced from PubChem (CID 136539179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).