ethyl N-(4-phenyl-1H-pyrazol-5-yl)carbamate

C12H13N3O2 — CID 24844195

IUPACethyl N-(4-phenyl-1H-pyrazol-5-yl)carbamate
SMILESCCOC(=O)Nc1[nH]ncc1-c1ccccc1
InChIInChI=1S/C12H13N3O2/c1-2-17-12(16)14-11-10(8-13-15-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H2,13,14,15,16)
InChIKeyLRWHRLZEADQIOS-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.65
Rot. Bonds3

About ethyl N-(4-phenyl-1H-pyrazol-5-yl)carbamate

ethyl N-(4-phenyl-1H-pyrazol-5-yl)carbamate (PubChem CID 24844195) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is ethyl N-(4-phenyl-1H-pyrazol-5-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(4-phenyl-1H-pyrazol-5-yl)carbamate
PubChem CID24844195
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Nameethyl N-(4-phenyl-1H-pyrazol-5-yl)carbamate
SMILESCCOC(=O)Nc1[nH]ncc1-c1ccccc1
InChIInChI=1S/C12H13N3O2/c1-2-17-12(16)14-11-10(8-13-15-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H2,13,14,15,16)
InChIKeyLRWHRLZEADQIOS-UHFFFAOYSA-N
XLogP2.65
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethyl N-(4-phenyl-1H-pyrazol-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 ethyl N-(4-phenyl-1H-pyrazol-5-yl)carbamate?
The IUPAC name of ethyl N-(4-phenyl-1H-pyrazol-5-yl)carbamate (CID 24844195) is ethyl N-(4-phenyl-1H-pyrazol-5-yl)carbamate.
What is the SMILES notation for ethyl N-(4-phenyl-1H-pyrazol-5-yl)carbamate?
The canonical SMILES for ethyl N-(4-phenyl-1H-pyrazol-5-yl)carbamate is CCOC(=O)Nc1[nH]ncc1-c1ccccc1.
What is the InChIKey of ethyl N-(4-phenyl-1H-pyrazol-5-yl)carbamate?
The InChIKey is LRWHRLZEADQIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-2-17-12(16)14-11-10(8-13-15-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H2,13,14,15,16).
What are the key properties of ethyl N-(4-phenyl-1H-pyrazol-5-yl)carbamate?
ethyl N-(4-phenyl-1H-pyrazol-5-yl)carbamate has a molecular weight of 231.25 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-phenyl-1H-pyrazol-5-yl)carbamate is sourced from PubChem (CID 24844195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).