N-[2-(4-phenylpiperazin-1-yl)ethyl]-N-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine

C22H33N5 — CID 24866288

IUPACN-[2-(4-phenylpiperazin-1-yl)ethyl]-N-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine
SMILESCCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2[nH]ncc2C1
InChIInChI=1S/C22H33N5/c1-2-10-26(21-8-9-22-19(17-21)18-23-24-22)14-11-25-12-15-27(16-13-25)20-6-4-3-5-7-20/h3-7,18,21H,2,8-17H2,1H3,(H,23,24)
InChIKeyLHOJVHKKDRWEEV-UHFFFAOYSA-N
MW367.54 g/mol
LogP2.80
Rot. Bonds7

About N-[2-(4-phenylpiperazin-1-yl)ethyl]-N-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine

N-[2-(4-phenylpiperazin-1-yl)ethyl]-N-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine (PubChem CID 24866288) has the molecular formula C22H33N5 and a molecular weight of 367.54 g/mol. Its IUPAC name is N-[2-(4-phenylpiperazin-1-yl)ethyl]-N-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[2-(4-phenylpiperazin-1-yl)ethyl]-N-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine
PubChem CID24866288
Molecular FormulaC22H33N5
Molecular Weight367.54 g/mol
Exact Mass367.27
IUPAC NameN-[2-(4-phenylpiperazin-1-yl)ethyl]-N-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine
SMILESCCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2[nH]ncc2C1
InChIInChI=1S/C22H33N5/c1-2-10-26(21-8-9-22-19(17-21)18-23-24-22)14-11-25-12-15-27(16-13-25)20-6-4-3-5-7-20/h3-7,18,21H,2,8-17H2,1H3,(H,23,24)
InChIKeyLHOJVHKKDRWEEV-UHFFFAOYSA-N
XLogP2.80
TPSA38.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-phenylpiperazin-1-yl)ethyl]-N-propyl-4,5,6,7-tetrahydro-1H-indazol-5-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-[2-(4-phenylpiperazin-1-yl)ethyl]-N-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine?
The IUPAC name of N-[2-(4-phenylpiperazin-1-yl)ethyl]-N-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine (CID 24866288) is N-[2-(4-phenylpiperazin-1-yl)ethyl]-N-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine.
What is the SMILES notation for N-[2-(4-phenylpiperazin-1-yl)ethyl]-N-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine?
The canonical SMILES for N-[2-(4-phenylpiperazin-1-yl)ethyl]-N-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine is CCCN(CCN1CCN(c2ccccc2)CC1)C1CCc2[nH]ncc2C1.
What is the InChIKey of N-[2-(4-phenylpiperazin-1-yl)ethyl]-N-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine?
The InChIKey is LHOJVHKKDRWEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5/c1-2-10-26(21-8-9-22-19(17-21)18-23-24-22)14-11-25-12-15-27(16-13-25)20-6-4-3-5-7-20/h3-7,18,21H,2,8-17H2,1H3,(H,23,24).
What are the key properties of N-[2-(4-phenylpiperazin-1-yl)ethyl]-N-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine?
N-[2-(4-phenylpiperazin-1-yl)ethyl]-N-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine has a molecular weight of 367.54 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenylpiperazin-1-yl)ethyl]-N-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine is sourced from PubChem (CID 24866288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).