2-[4-[3-[ethyl(methyl)carbamoyl]-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethyl N-tert-butylcarbamate

C27H34N4O5 — CID 90712631

IUPAC2-[4-[3-[ethyl(methyl)carbamoyl]-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethyl N-tert-butylcarbamate
SMILESCCN(C)C(=O)c1cc(-c2ccc(OCCOC(=O)NC(C)(C)C)cc2)n(-c2ccc(OC)cc2)n1
InChIInChI=1S/C27H34N4O5/c1-7-30(5)25(32)23-18-24(31(29-23)20-10-14-21(34-6)15-11-20)19-8-12-22(13-9-19)35-16-17-36-26(33)28-27(2,3)4/h8-15,18H,7,16-17H2,1-6H3,(H,28,33)
InChIKeyNYPUWLUNXUTADX-UHFFFAOYSA-N
MW494.59 g/mol
LogP4.54
Rot. Bonds9

About 2-[4-[3-[ethyl(methyl)carbamoyl]-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethyl N-tert-butylcarbamate

2-[4-[3-[ethyl(methyl)carbamoyl]-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethyl N-tert-butylcarbamate (PubChem CID 90712631) has the molecular formula C27H34N4O5 and a molecular weight of 494.59 g/mol. Its IUPAC name is 2-[4-[3-[ethyl(methyl)carbamoyl]-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethyl N-tert-butylcarbamate.

Molecular Properties

Compound Name2-[4-[3-[ethyl(methyl)carbamoyl]-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethyl N-tert-butylcarbamate
PubChem CID90712631
Molecular FormulaC27H34N4O5
Molecular Weight494.59 g/mol
Exact Mass494.25
IUPAC Name2-[4-[3-[ethyl(methyl)carbamoyl]-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethyl N-tert-butylcarbamate
SMILESCCN(C)C(=O)c1cc(-c2ccc(OCCOC(=O)NC(C)(C)C)cc2)n(-c2ccc(OC)cc2)n1
InChIInChI=1S/C27H34N4O5/c1-7-30(5)25(32)23-18-24(31(29-23)20-10-14-21(34-6)15-11-20)19-8-12-22(13-9-19)35-16-17-36-26(33)28-27(2,3)4/h8-15,18H,7,16-17H2,1-6H3,(H,28,33)
InChIKeyNYPUWLUNXUTADX-UHFFFAOYSA-N
XLogP4.54
TPSA94.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.59
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[4-[3-[ethyl(methyl)carbamoyl]-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethyl N-tert-butylcarbamate 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

N-(4-methoxybenzyl)-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 5015296
Cfm-1571
CID 9844347
2-(4-((5-(4-(allyloxy)phenyl)-1-methyl-1H-pyrazole-3-carboxamido)methyl)-2-methylphenoxy)-2-methylpropanoic acid
CID 11259787
2-(4-((5-(4-(benzyloxy)phenyl)-1-methyl-1H-pyrazole-3-carboxamido)methyl)-2-methylphenoxy)-2-methylpropanoic acid
CID 11352791
4-[3,4-Dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL]-N-[(4-methoxyphenyl)methyl]butanamide
CID 20919914
1-(4-methoxyphenyl)-3-N-(oxolan-2-ylmethyl)-5-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3,5-dicarboxamide
CID 10929378
1-(4-methoxyphenyl)-3-N-(2-methylpropyl)-5-N-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3,5-dicarboxamide
CID 11762691
4-[3,4-Dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL]-N-[(4-ethoxyphenyl)methyl]butanamide
CID 16022700
N-[2-(3,4-Diethoxyphenyl)ethyl]-2-{3,4-dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL}acetamide
CID 16022742
2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5(4H)-yl]-N-(4-methoxybenzyl)acetamide
CID 16028260
3-cyclopropyl-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide
CID 16326320
2-{3,4-Dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL}-N-[2-(4-ethoxyphenyl)ethyl]propanamide
CID 20919720

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[ethyl(methyl)carbamoyl]-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethyl N-tert-butylcarbamate?
The IUPAC name of 2-[4-[3-[ethyl(methyl)carbamoyl]-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethyl N-tert-butylcarbamate (CID 90712631) is 2-[4-[3-[ethyl(methyl)carbamoyl]-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethyl N-tert-butylcarbamate.
What is the SMILES notation for 2-[4-[3-[ethyl(methyl)carbamoyl]-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethyl N-tert-butylcarbamate?
The canonical SMILES for 2-[4-[3-[ethyl(methyl)carbamoyl]-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethyl N-tert-butylcarbamate is CCN(C)C(=O)c1cc(-c2ccc(OCCOC(=O)NC(C)(C)C)cc2)n(-c2ccc(OC)cc2)n1.
What is the InChIKey of 2-[4-[3-[ethyl(methyl)carbamoyl]-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethyl N-tert-butylcarbamate?
The InChIKey is NYPUWLUNXUTADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O5/c1-7-30(5)25(32)23-18-24(31(29-23)20-10-14-21(34-6)15-11-20)19-8-12-22(13-9-19)35-16-17-36-26(33)28-27(2,3)4/h8-15,18H,7,16-17H2,1-6H3,(H,28,33).
What are the key properties of 2-[4-[3-[ethyl(methyl)carbamoyl]-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethyl N-tert-butylcarbamate?
2-[4-[3-[ethyl(methyl)carbamoyl]-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethyl N-tert-butylcarbamate has a molecular weight of 494.59 g/mol, XLogP of 4.54, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[ethyl(methyl)carbamoyl]-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethyl N-tert-butylcarbamate is sourced from PubChem (CID 90712631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).