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

C15H15N3O — CID 142719136

IUPAC[4-[6-(aminomethyl)-1H-indazol-3-yl]phenyl]methanol
SMILESNCc1ccc2c(-c3ccc(CO)cc3)n[nH]c2c1
InChIInChI=1S/C15H15N3O/c16-8-11-3-6-13-14(7-11)17-18-15(13)12-4-1-10(9-19)2-5-12/h1-7,19H,8-9,16H2,(H,17,18)
InChIKeyDJGOAXYLQDQDMZ-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.18
Rot. Bonds3

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

[4-[6-(aminomethyl)-1H-indazol-3-yl]phenyl]methanol (PubChem CID 142719136) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is [4-[6-(aminomethyl)-1H-indazol-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[6-(aminomethyl)-1H-indazol-3-yl]phenyl]methanol
PubChem CID142719136
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name[4-[6-(aminomethyl)-1H-indazol-3-yl]phenyl]methanol
SMILESNCc1ccc2c(-c3ccc(CO)cc3)n[nH]c2c1
InChIInChI=1S/C15H15N3O/c16-8-11-3-6-13-14(7-11)17-18-15(13)12-4-1-10(9-19)2-5-12/h1-7,19H,8-9,16H2,(H,17,18)
InChIKeyDJGOAXYLQDQDMZ-UHFFFAOYSA-N
XLogP2.18
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[6-(aminomethyl)-1H-indazol-3-yl]phenyl]methanol?
The IUPAC name of [4-[6-(aminomethyl)-1H-indazol-3-yl]phenyl]methanol (CID 142719136) is [4-[6-(aminomethyl)-1H-indazol-3-yl]phenyl]methanol.
What is the SMILES notation for [4-[6-(aminomethyl)-1H-indazol-3-yl]phenyl]methanol?
The canonical SMILES for [4-[6-(aminomethyl)-1H-indazol-3-yl]phenyl]methanol is NCc1ccc2c(-c3ccc(CO)cc3)n[nH]c2c1.
What is the InChIKey of [4-[6-(aminomethyl)-1H-indazol-3-yl]phenyl]methanol?
The InChIKey is DJGOAXYLQDQDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c16-8-11-3-6-13-14(7-11)17-18-15(13)12-4-1-10(9-19)2-5-12/h1-7,19H,8-9,16H2,(H,17,18).
What are the key properties of [4-[6-(aminomethyl)-1H-indazol-3-yl]phenyl]methanol?
[4-[6-(aminomethyl)-1H-indazol-3-yl]phenyl]methanol has a molecular weight of 253.31 g/mol, XLogP of 2.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(aminomethyl)-1H-indazol-3-yl]phenyl]methanol is sourced from PubChem (CID 142719136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).