3-propyl-3a,7a-dihydro-3H-indazole

C10H14N2 — CID 118017462

IUPAC3-propyl-3a,7a-dihydro-3H-indazole
SMILESCCCC1N=NC2C=CC=CC21
InChIInChI=1S/C10H14N2/c1-2-5-9-8-6-3-4-7-10(8)12-11-9/h3-4,6-10H,2,5H2,1H3
InChIKeyMPWTVCKBUPJADM-UHFFFAOYSA-N
MW162.24 g/mol
LogP2.73
Rot. Bonds2

About 3-propyl-3a,7a-dihydro-3H-indazole

3-propyl-3a,7a-dihydro-3H-indazole (PubChem CID 118017462) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 3-propyl-3a,7a-dihydro-3H-indazole.

Molecular Properties

Compound Name3-propyl-3a,7a-dihydro-3H-indazole
PubChem CID118017462
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name3-propyl-3a,7a-dihydro-3H-indazole
SMILESCCCC1N=NC2C=CC=CC21
InChIInChI=1S/C10H14N2/c1-2-5-9-8-6-3-4-7-10(8)12-11-9/h3-4,6-10H,2,5H2,1H3
InChIKeyMPWTVCKBUPJADM-UHFFFAOYSA-N
XLogP2.73
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-propyl-3a,7a-dihydro-3H-indazole 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-propyl-3a,7a-dihydro-3H-indazole?
The IUPAC name of 3-propyl-3a,7a-dihydro-3H-indazole (CID 118017462) is 3-propyl-3a,7a-dihydro-3H-indazole.
What is the SMILES notation for 3-propyl-3a,7a-dihydro-3H-indazole?
The canonical SMILES for 3-propyl-3a,7a-dihydro-3H-indazole is CCCC1N=NC2C=CC=CC21.
What is the InChIKey of 3-propyl-3a,7a-dihydro-3H-indazole?
The InChIKey is MPWTVCKBUPJADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-2-5-9-8-6-3-4-7-10(8)12-11-9/h3-4,6-10H,2,5H2,1H3.
What are the key properties of 3-propyl-3a,7a-dihydro-3H-indazole?
3-propyl-3a,7a-dihydro-3H-indazole has a molecular weight of 162.24 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-3a,7a-dihydro-3H-indazole is sourced from PubChem (CID 118017462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).