tert-butyl N-[6-(hydroxymethyl)-2-phenylindazol-3-yl]carbamate

C19H21N3O3 — CID 118408650

IUPACtert-butyl N-[6-(hydroxymethyl)-2-phenylindazol-3-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1c2ccc(CO)cc2nn1-c1ccccc1
InChIInChI=1S/C19H21N3O3/c1-19(2,3)25-18(24)20-17-15-10-9-13(12-23)11-16(15)21-22(17)14-7-5-4-6-8-14/h4-11,23H,12H2,1-3H3,(H,20,24)
InChIKeyZRLQIRTVDUAQLH-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.86
Rot. Bonds3

About tert-butyl N-[6-(hydroxymethyl)-2-phenylindazol-3-yl]carbamate

tert-butyl N-[6-(hydroxymethyl)-2-phenylindazol-3-yl]carbamate (PubChem CID 118408650) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is tert-butyl N-[6-(hydroxymethyl)-2-phenylindazol-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-(hydroxymethyl)-2-phenylindazol-3-yl]carbamate
PubChem CID118408650
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Nametert-butyl N-[6-(hydroxymethyl)-2-phenylindazol-3-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1c2ccc(CO)cc2nn1-c1ccccc1
InChIInChI=1S/C19H21N3O3/c1-19(2,3)25-18(24)20-17-15-10-9-13(12-23)11-16(15)21-22(17)14-7-5-4-6-8-14/h4-11,23H,12H2,1-3H3,(H,20,24)
InChIKeyZRLQIRTVDUAQLH-UHFFFAOYSA-N
XLogP3.86
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[6-(bromomethyl)-2-phenylindazol-3-yl]carbamate
CID 118408649
4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylindazole-6-carboxylic acid
CID 129021340
tert-butyl N-[[3-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]-2-phenylindazol-6-yl]methyl]carbamate
CID 118408709
5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-diphenylpyrazole-4-carboxylic acid
CID 15288287
tert-butyl N-[4-(hydroxymethyl)quinolin-2-yl]carbamate
CID 118669396
tert-butyl N-[1-(3-amino-2-phenylindazol-6-yl)-2,2,2-trifluoroethyl]carbamate
CID 123689411
tert-butyl N-[(1S)-1-(3-amino-2-phenylindazol-6-yl)-2,2,2-trifluoroethyl]carbamate
CID 118408662
tert-butyl N-[3-(2-hydrazinyl-2-oxoethyl)-1-phenylpyrazol-5-yl]carbamate
CID 118408921
tert-butyl N-[2-bromo-5-(hydroxymethyl)phenyl]carbamate
CID 117236636
tert-butyl N-[4-(hydroxymethyl)-2-methoxyphenyl]carbamate
CID 86720230
tert-butyl N-[5-(hydroxymethyl)-2-methoxyphenyl]carbamate
CID 117236640
tert-butyl N-[1-[3-(hydroxymethyl)phenyl]-1-phenylethyl]carbamate
CID 69174431

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-(hydroxymethyl)-2-phenylindazol-3-yl]carbamate?
The IUPAC name of tert-butyl N-[6-(hydroxymethyl)-2-phenylindazol-3-yl]carbamate (CID 118408650) is tert-butyl N-[6-(hydroxymethyl)-2-phenylindazol-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[6-(hydroxymethyl)-2-phenylindazol-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[6-(hydroxymethyl)-2-phenylindazol-3-yl]carbamate is CC(C)(C)OC(=O)Nc1c2ccc(CO)cc2nn1-c1ccccc1.
What is the InChIKey of tert-butyl N-[6-(hydroxymethyl)-2-phenylindazol-3-yl]carbamate?
The InChIKey is ZRLQIRTVDUAQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-19(2,3)25-18(24)20-17-15-10-9-13(12-23)11-16(15)21-22(17)14-7-5-4-6-8-14/h4-11,23H,12H2,1-3H3,(H,20,24).
What are the key properties of tert-butyl N-[6-(hydroxymethyl)-2-phenylindazol-3-yl]carbamate?
tert-butyl N-[6-(hydroxymethyl)-2-phenylindazol-3-yl]carbamate has a molecular weight of 339.40 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-(hydroxymethyl)-2-phenylindazol-3-yl]carbamate is sourced from PubChem (CID 118408650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).