4-[3-[3-(aminomethyl)phenyl]-1H-indazol-6-yl]phenol

C20H17N3O — CID 166626703

IUPAC4-[3-[3-(aminomethyl)phenyl]-1H-indazol-6-yl]phenol
SMILESNCc1cccc(-c2n[nH]c3cc(-c4ccc(O)cc4)ccc23)c1
InChIInChI=1S/C20H17N3O/c21-12-13-2-1-3-16(10-13)20-18-9-6-15(11-19(18)22-23-20)14-4-7-17(24)8-5-14/h1-11,24H,12,21H2,(H,22,23)
InChIKeyXQWDSTDIHSEBJL-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.06
Rot. Bonds3

About 4-[3-[3-(aminomethyl)phenyl]-1H-indazol-6-yl]phenol

4-[3-[3-(aminomethyl)phenyl]-1H-indazol-6-yl]phenol (PubChem CID 166626703) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 4-[3-[3-(aminomethyl)phenyl]-1H-indazol-6-yl]phenol.

Molecular Properties

Compound Name4-[3-[3-(aminomethyl)phenyl]-1H-indazol-6-yl]phenol
PubChem CID166626703
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name4-[3-[3-(aminomethyl)phenyl]-1H-indazol-6-yl]phenol
SMILESNCc1cccc(-c2n[nH]c3cc(-c4ccc(O)cc4)ccc23)c1
InChIInChI=1S/C20H17N3O/c21-12-13-2-1-3-16(10-13)20-18-9-6-15(11-19(18)22-23-20)14-4-7-17(24)8-5-14/h1-11,24H,12,21H2,(H,22,23)
InChIKeyXQWDSTDIHSEBJL-UHFFFAOYSA-N
XLogP4.06
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[3-[3-(aminomethyl)phenyl]-1H-indazol-6-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-[3-[3-(aminomethyl)phenyl]-1H-indazol-6-yl]phenol?
The IUPAC name of 4-[3-[3-(aminomethyl)phenyl]-1H-indazol-6-yl]phenol (CID 166626703) is 4-[3-[3-(aminomethyl)phenyl]-1H-indazol-6-yl]phenol.
What is the SMILES notation for 4-[3-[3-(aminomethyl)phenyl]-1H-indazol-6-yl]phenol?
The canonical SMILES for 4-[3-[3-(aminomethyl)phenyl]-1H-indazol-6-yl]phenol is NCc1cccc(-c2n[nH]c3cc(-c4ccc(O)cc4)ccc23)c1.
What is the InChIKey of 4-[3-[3-(aminomethyl)phenyl]-1H-indazol-6-yl]phenol?
The InChIKey is XQWDSTDIHSEBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c21-12-13-2-1-3-16(10-13)20-18-9-6-15(11-19(18)22-23-20)14-4-7-17(24)8-5-14/h1-11,24H,12,21H2,(H,22,23).
What are the key properties of 4-[3-[3-(aminomethyl)phenyl]-1H-indazol-6-yl]phenol?
4-[3-[3-(aminomethyl)phenyl]-1H-indazol-6-yl]phenol has a molecular weight of 315.38 g/mol, XLogP of 4.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(aminomethyl)phenyl]-1H-indazol-6-yl]phenol is sourced from PubChem (CID 166626703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).