3-(aminomethyl)-1-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]pentan-3-ol

C21H25N3O — CID 68999808

IUPAC3-(aminomethyl)-1-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]pentan-3-ol
SMILESCCC(O)(CN)CCc1ccccc1C=Cc1n[nH]c2ccccc12
InChIInChI=1S/C21H25N3O/c1-2-21(25,15-22)14-13-17-8-4-3-7-16(17)11-12-20-18-9-5-6-10-19(18)23-24-20/h3-12,25H,2,13-15,22H2,1H3,(H,23,24)
InChIKeyDZXGJNAZZLUOIS-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.77
Rot. Bonds7

About 3-(aminomethyl)-1-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]pentan-3-ol

3-(aminomethyl)-1-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]pentan-3-ol (PubChem CID 68999808) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 3-(aminomethyl)-1-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]pentan-3-ol.

Molecular Properties

Compound Name3-(aminomethyl)-1-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]pentan-3-ol
PubChem CID68999808
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name3-(aminomethyl)-1-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]pentan-3-ol
SMILESCCC(O)(CN)CCc1ccccc1C=Cc1n[nH]c2ccccc12
InChIInChI=1S/C21H25N3O/c1-2-21(25,15-22)14-13-17-8-4-3-7-16(17)11-12-20-18-9-5-6-10-19(18)23-24-20/h3-12,25H,2,13-15,22H2,1H3,(H,23,24)
InChIKeyDZXGJNAZZLUOIS-UHFFFAOYSA-N
XLogP3.77
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]pentan-3-ol?
The IUPAC name of 3-(aminomethyl)-1-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]pentan-3-ol (CID 68999808) is 3-(aminomethyl)-1-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]pentan-3-ol.
What is the SMILES notation for 3-(aminomethyl)-1-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]pentan-3-ol?
The canonical SMILES for 3-(aminomethyl)-1-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]pentan-3-ol is CCC(O)(CN)CCc1ccccc1C=Cc1n[nH]c2ccccc12.
What is the InChIKey of 3-(aminomethyl)-1-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]pentan-3-ol?
The InChIKey is DZXGJNAZZLUOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-2-21(25,15-22)14-13-17-8-4-3-7-16(17)11-12-20-18-9-5-6-10-19(18)23-24-20/h3-12,25H,2,13-15,22H2,1H3,(H,23,24).
What are the key properties of 3-(aminomethyl)-1-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]pentan-3-ol?
3-(aminomethyl)-1-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]pentan-3-ol has a molecular weight of 335.45 g/mol, XLogP of 3.77, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-[2-[2-(1H-indazol-3-yl)ethenyl]phenyl]pentan-3-ol is sourced from PubChem (CID 68999808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).