4-[7-[2-(aminomethyl)phenyl]-1-cyclopentylindazol-3-yl]phenol

C25H25N3O — CID 151802078

IUPAC4-[7-[2-(aminomethyl)phenyl]-1-cyclopentylindazol-3-yl]phenol
SMILESNCc1ccccc1-c1cccc2c(-c3ccc(O)cc3)nn(C3CCCC3)c12
InChIInChI=1S/C25H25N3O/c26-16-18-6-1-4-9-21(18)22-10-5-11-23-24(17-12-14-20(29)15-13-17)27-28(25(22)23)19-7-2-3-8-19/h1,4-6,9-15,19,29H,2-3,7-8,16,26H2
InChIKeyRYUZBVZGNCZORA-UHFFFAOYSA-N
MW383.50 g/mol
LogP5.65
Rot. Bonds4

About 4-[7-[2-(aminomethyl)phenyl]-1-cyclopentylindazol-3-yl]phenol

4-[7-[2-(aminomethyl)phenyl]-1-cyclopentylindazol-3-yl]phenol (PubChem CID 151802078) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is 4-[7-[2-(aminomethyl)phenyl]-1-cyclopentylindazol-3-yl]phenol.

Molecular Properties

Compound Name4-[7-[2-(aminomethyl)phenyl]-1-cyclopentylindazol-3-yl]phenol
PubChem CID151802078
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC Name4-[7-[2-(aminomethyl)phenyl]-1-cyclopentylindazol-3-yl]phenol
SMILESNCc1ccccc1-c1cccc2c(-c3ccc(O)cc3)nn(C3CCCC3)c12
InChIInChI=1S/C25H25N3O/c26-16-18-6-1-4-9-21(18)22-10-5-11-23-24(17-12-14-20(29)15-13-17)27-28(25(22)23)19-7-2-3-8-19/h1,4-6,9-15,19,29H,2-3,7-8,16,26H2
InChIKeyRYUZBVZGNCZORA-UHFFFAOYSA-N
XLogP5.65
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.50
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[7-[2-(aminomethyl)phenyl]-1-cyclopentylindazol-3-yl]phenol 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 4-[7-[2-(aminomethyl)phenyl]-1-cyclopentylindazol-3-yl]phenol?
The IUPAC name of 4-[7-[2-(aminomethyl)phenyl]-1-cyclopentylindazol-3-yl]phenol (CID 151802078) is 4-[7-[2-(aminomethyl)phenyl]-1-cyclopentylindazol-3-yl]phenol.
What is the SMILES notation for 4-[7-[2-(aminomethyl)phenyl]-1-cyclopentylindazol-3-yl]phenol?
The canonical SMILES for 4-[7-[2-(aminomethyl)phenyl]-1-cyclopentylindazol-3-yl]phenol is NCc1ccccc1-c1cccc2c(-c3ccc(O)cc3)nn(C3CCCC3)c12.
What is the InChIKey of 4-[7-[2-(aminomethyl)phenyl]-1-cyclopentylindazol-3-yl]phenol?
The InChIKey is RYUZBVZGNCZORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O/c26-16-18-6-1-4-9-21(18)22-10-5-11-23-24(17-12-14-20(29)15-13-17)27-28(25(22)23)19-7-2-3-8-19/h1,4-6,9-15,19,29H,2-3,7-8,16,26H2.
What are the key properties of 4-[7-[2-(aminomethyl)phenyl]-1-cyclopentylindazol-3-yl]phenol?
4-[7-[2-(aminomethyl)phenyl]-1-cyclopentylindazol-3-yl]phenol has a molecular weight of 383.50 g/mol, XLogP of 5.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[2-(aminomethyl)phenyl]-1-cyclopentylindazol-3-yl]phenol is sourced from PubChem (CID 151802078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).