ethyl N-[2-[[(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]amino]ethyl]carbamate

C23H24N4O3 — CID 56557533

IUPACethyl N-[2-[[(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]amino]ethyl]carbamate
SMILESCCOC(=O)NCCNC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C23H24N4O3/c1-2-30-23(29)25-16-15-24-21(28)14-13-19-17-27(20-11-7-4-8-12-20)26-22(19)18-9-5-3-6-10-18/h3-14,17H,2,15-16H2,1H3,(H,24,28)(H,25,29)/b14-13+
InChIKeySYKIITDQUWQPPT-BUHFOSPRSA-N
MW404.47 g/mol
LogP3.41
Rot. Bonds8

About ethyl N-[2-[[(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]amino]ethyl]carbamate

ethyl N-[2-[[(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]amino]ethyl]carbamate (PubChem CID 56557533) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is ethyl N-[2-[[(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[[(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]amino]ethyl]carbamate
PubChem CID56557533
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Nameethyl N-[2-[[(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]amino]ethyl]carbamate
SMILESCCOC(=O)NCCNC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C23H24N4O3/c1-2-30-23(29)25-16-15-24-21(28)14-13-19-17-27(20-11-7-4-8-12-20)26-22(19)18-9-5-3-6-10-18/h3-14,17H,2,15-16H2,1H3,(H,24,28)(H,25,29)/b14-13+
InChIKeySYKIITDQUWQPPT-BUHFOSPRSA-N
XLogP3.41
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl N-[2-[[(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]amino]ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide
CID 55819121
(E)-N-(3-methoxypropyl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide
CID 35742758
3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-N-pentan-3-ylprop-2-enamide
CID 5206073
(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enamide
CID 2360790
N-benzyl-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide
CID 1340100
(Z)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]prop-2-enoic acid
CID 2282682
ethyl N-[2-[[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetyl]amino]ethyl]carbamate
CID 56557496
3-[[(E)-3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]prop-2-enoyl]amino]-2,2-dimethylpropanamide
CID 60555560
3-(1,3-diphenylpyrazol-4-yl)-N-(phenylcarbamothioyl)prop-2-enamide
CID 3645403
(E)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-methylprop-2-enamide
CID 2120722
3-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]prop-2-enamide
CID 72684598
1-[[(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]amino]-3-(4-methylphenyl)urea
CID 156597868

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[[(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]amino]ethyl]carbamate?
The IUPAC name of ethyl N-[2-[[(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]amino]ethyl]carbamate (CID 56557533) is ethyl N-[2-[[(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]amino]ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-[[(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]amino]ethyl]carbamate?
The canonical SMILES for ethyl N-[2-[[(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]amino]ethyl]carbamate is CCOC(=O)NCCNC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of ethyl N-[2-[[(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]amino]ethyl]carbamate?
The InChIKey is SYKIITDQUWQPPT-BUHFOSPRSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-2-30-23(29)25-16-15-24-21(28)14-13-19-17-27(20-11-7-4-8-12-20)26-22(19)18-9-5-3-6-10-18/h3-14,17H,2,15-16H2,1H3,(H,24,28)(H,25,29)/b14-13+.
What are the key properties of ethyl N-[2-[[(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]amino]ethyl]carbamate?
ethyl N-[2-[[(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]amino]ethyl]carbamate has a molecular weight of 404.47 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[[(E)-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]amino]ethyl]carbamate is sourced from PubChem (CID 56557533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).