[(1R)-1-phenylethyl] N-(1-methyl-4-phenylpyrazol-5-yl)carbamate

C19H19N3O2 — CID 71457483

IUPAC[(1R)-1-phenylethyl] N-(1-methyl-4-phenylpyrazol-5-yl)carbamate
SMILESC[C@@H](OC(=O)Nc1c(-c2ccccc2)cnn1C)c1ccccc1
InChIInChI=1S/C19H19N3O2/c1-14(15-9-5-3-6-10-15)24-19(23)21-18-17(13-20-22(18)2)16-11-7-4-8-12-16/h3-14H,1-2H3,(H,21,23)/t14-/m1/s1
InChIKeyQUWIZCMIURDWRW-CQSZACIVSA-N
MW321.38 g/mol
LogP4.40
Rot. Bonds4

About [(1R)-1-phenylethyl] N-(1-methyl-4-phenylpyrazol-5-yl)carbamate

[(1R)-1-phenylethyl] N-(1-methyl-4-phenylpyrazol-5-yl)carbamate (PubChem CID 71457483) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is [(1R)-1-phenylethyl] N-(1-methyl-4-phenylpyrazol-5-yl)carbamate.

Molecular Properties

Compound Name[(1R)-1-phenylethyl] N-(1-methyl-4-phenylpyrazol-5-yl)carbamate
PubChem CID71457483
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name[(1R)-1-phenylethyl] N-(1-methyl-4-phenylpyrazol-5-yl)carbamate
SMILESC[C@@H](OC(=O)Nc1c(-c2ccccc2)cnn1C)c1ccccc1
InChIInChI=1S/C19H19N3O2/c1-14(15-9-5-3-6-10-15)24-19(23)21-18-17(13-20-22(18)2)16-11-7-4-8-12-16/h3-14H,1-2H3,(H,21,23)/t14-/m1/s1
InChIKeyQUWIZCMIURDWRW-CQSZACIVSA-N
XLogP4.40
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1R)-1-phenylethyl] N-(1-methyl-4-phenylpyrazol-5-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 [(1R)-1-phenylethyl] N-(1-methyl-4-phenylpyrazol-5-yl)carbamate?
The IUPAC name of [(1R)-1-phenylethyl] N-(1-methyl-4-phenylpyrazol-5-yl)carbamate (CID 71457483) is [(1R)-1-phenylethyl] N-(1-methyl-4-phenylpyrazol-5-yl)carbamate.
What is the SMILES notation for [(1R)-1-phenylethyl] N-(1-methyl-4-phenylpyrazol-5-yl)carbamate?
The canonical SMILES for [(1R)-1-phenylethyl] N-(1-methyl-4-phenylpyrazol-5-yl)carbamate is C[C@@H](OC(=O)Nc1c(-c2ccccc2)cnn1C)c1ccccc1.
What is the InChIKey of [(1R)-1-phenylethyl] N-(1-methyl-4-phenylpyrazol-5-yl)carbamate?
The InChIKey is QUWIZCMIURDWRW-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-14(15-9-5-3-6-10-15)24-19(23)21-18-17(13-20-22(18)2)16-11-7-4-8-12-16/h3-14H,1-2H3,(H,21,23)/t14-/m1/s1.
What are the key properties of [(1R)-1-phenylethyl] N-(1-methyl-4-phenylpyrazol-5-yl)carbamate?
[(1R)-1-phenylethyl] N-(1-methyl-4-phenylpyrazol-5-yl)carbamate has a molecular weight of 321.38 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-phenylethyl] N-(1-methyl-4-phenylpyrazol-5-yl)carbamate is sourced from PubChem (CID 71457483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).