[3-(2H-indazol-3-yl)-1-oxo-1-(1-phenylethylamino)propan-2-yl] carbamate

C19H20N4O3 — CID 54435281

IUPAC[3-(2H-indazol-3-yl)-1-oxo-1-(1-phenylethylamino)propan-2-yl] carbamate
SMILESCC(NC(=O)C(Cc1[nH]nc2ccccc12)OC(N)=O)c1ccccc1
InChIInChI=1S/C19H20N4O3/c1-12(13-7-3-2-4-8-13)21-18(24)17(26-19(20)25)11-16-14-9-5-6-10-15(14)22-23-16/h2-10,12,17H,11H2,1H3,(H2,20,25)(H,21,24)(H,22,23)
InChIKeyWKHIVJPNVNOYMY-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.45
Rot. Bonds6

About [3-(2H-indazol-3-yl)-1-oxo-1-(1-phenylethylamino)propan-2-yl] carbamate

[3-(2H-indazol-3-yl)-1-oxo-1-(1-phenylethylamino)propan-2-yl] carbamate (PubChem CID 54435281) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is [3-(2H-indazol-3-yl)-1-oxo-1-(1-phenylethylamino)propan-2-yl] carbamate.

Molecular Properties

Compound Name[3-(2H-indazol-3-yl)-1-oxo-1-(1-phenylethylamino)propan-2-yl] carbamate
PubChem CID54435281
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name[3-(2H-indazol-3-yl)-1-oxo-1-(1-phenylethylamino)propan-2-yl] carbamate
SMILESCC(NC(=O)C(Cc1[nH]nc2ccccc12)OC(N)=O)c1ccccc1
InChIInChI=1S/C19H20N4O3/c1-12(13-7-3-2-4-8-13)21-18(24)17(26-19(20)25)11-16-14-9-5-6-10-15(14)22-23-16/h2-10,12,17H,11H2,1H3,(H2,20,25)(H,21,24)(H,22,23)
InChIKeyWKHIVJPNVNOYMY-UHFFFAOYSA-N
XLogP2.45
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [3-(2H-indazol-3-yl)-1-oxo-1-(1-phenylethylamino)propan-2-yl] carbamate 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 [3-(2H-indazol-3-yl)-1-oxo-1-(1-phenylethylamino)propan-2-yl] carbamate?
The IUPAC name of [3-(2H-indazol-3-yl)-1-oxo-1-(1-phenylethylamino)propan-2-yl] carbamate (CID 54435281) is [3-(2H-indazol-3-yl)-1-oxo-1-(1-phenylethylamino)propan-2-yl] carbamate.
What is the SMILES notation for [3-(2H-indazol-3-yl)-1-oxo-1-(1-phenylethylamino)propan-2-yl] carbamate?
The canonical SMILES for [3-(2H-indazol-3-yl)-1-oxo-1-(1-phenylethylamino)propan-2-yl] carbamate is CC(NC(=O)C(Cc1[nH]nc2ccccc12)OC(N)=O)c1ccccc1.
What is the InChIKey of [3-(2H-indazol-3-yl)-1-oxo-1-(1-phenylethylamino)propan-2-yl] carbamate?
The InChIKey is WKHIVJPNVNOYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-12(13-7-3-2-4-8-13)21-18(24)17(26-19(20)25)11-16-14-9-5-6-10-15(14)22-23-16/h2-10,12,17H,11H2,1H3,(H2,20,25)(H,21,24)(H,22,23).
What are the key properties of [3-(2H-indazol-3-yl)-1-oxo-1-(1-phenylethylamino)propan-2-yl] carbamate?
[3-(2H-indazol-3-yl)-1-oxo-1-(1-phenylethylamino)propan-2-yl] carbamate has a molecular weight of 352.39 g/mol, XLogP of 2.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2H-indazol-3-yl)-1-oxo-1-(1-phenylethylamino)propan-2-yl] carbamate is sourced from PubChem (CID 54435281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).