1-[5-[4-[2-(carbamoylamino)ethoxy]phenyl]-1-(4-methoxyphenyl)pyrazol-3-yl]-1,3,3-trimethylurea

C23H28N6O4 — CID 21091141

IUPAC1-[5-[4-[2-(carbamoylamino)ethoxy]phenyl]-1-(4-methoxyphenyl)pyrazol-3-yl]-1,3,3-trimethylurea
SMILESCOc1ccc(-n2nc(N(C)C(=O)N(C)C)cc2-c2ccc(OCCNC(N)=O)cc2)cc1
InChIInChI=1S/C23H28N6O4/c1-27(2)23(31)28(3)21-15-20(29(26-21)17-7-11-18(32-4)12-8-17)16-5-9-19(10-6-16)33-14-13-25-22(24)30/h5-12,15H,13-14H2,1-4H3,(H3,24,25,30)
InChIKeyYQZLLRFTBQOXTJ-UHFFFAOYSA-N
MW452.52 g/mol
LogP2.71
Rot. Bonds8

About 1-[5-[4-[2-(carbamoylamino)ethoxy]phenyl]-1-(4-methoxyphenyl)pyrazol-3-yl]-1,3,3-trimethylurea

1-[5-[4-[2-(carbamoylamino)ethoxy]phenyl]-1-(4-methoxyphenyl)pyrazol-3-yl]-1,3,3-trimethylurea (PubChem CID 21091141) has the molecular formula C23H28N6O4 and a molecular weight of 452.52 g/mol. Its IUPAC name is 1-[5-[4-[2-(carbamoylamino)ethoxy]phenyl]-1-(4-methoxyphenyl)pyrazol-3-yl]-1,3,3-trimethylurea.

Molecular Properties

Compound Name1-[5-[4-[2-(carbamoylamino)ethoxy]phenyl]-1-(4-methoxyphenyl)pyrazol-3-yl]-1,3,3-trimethylurea
PubChem CID21091141
Molecular FormulaC23H28N6O4
Molecular Weight452.52 g/mol
Exact Mass452.22
IUPAC Name1-[5-[4-[2-(carbamoylamino)ethoxy]phenyl]-1-(4-methoxyphenyl)pyrazol-3-yl]-1,3,3-trimethylurea
SMILESCOc1ccc(-n2nc(N(C)C(=O)N(C)C)cc2-c2ccc(OCCNC(N)=O)cc2)cc1
InChIInChI=1S/C23H28N6O4/c1-27(2)23(31)28(3)21-15-20(29(26-21)17-7-11-18(32-4)12-8-17)16-5-9-19(10-6-16)33-14-13-25-22(24)30/h5-12,15H,13-14H2,1-4H3,(H3,24,25,30)
InChIKeyYQZLLRFTBQOXTJ-UHFFFAOYSA-N
XLogP2.71
TPSA114.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[5-[4-[2-(carbamoylamino)ethoxy]phenyl]-1-(4-methoxyphenyl)pyrazol-3-yl]-1,3,3-trimethylurea 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

2-[4-[3-(2-methoxyethoxy)-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethylurea
CID 21091064
[5-[4-[2-(carbamoylamino)ethoxy]phenyl]-1-(4-methoxyphenyl)pyrazol-3-yl]carbamic acid
CID 21090964
2-[4-[5-methoxy-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]phenoxy]ethylurea
CID 10022837
2-[4-[1-(4-hydroxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]ethylurea
CID 21091035
2-[4-[3-chloro-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethylurea
CID 21091069
2-[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-yl]phenoxy]ethylurea
CID 21091103
2-[4-[2-(4-methoxyphenyl)-5-propan-2-yloxy-1,2,4-triazol-3-yl]phenoxy]ethylurea
CID 10386925
tert-butyl N-[2-[4-[3-[methoxy(methyl)carbamoyl]-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethyl]carbamate
CID 58806700
2-[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-yloxypyrazol-5-yl]phenoxy]ethylurea
CID 21091099
methyl N-[2-[2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]ethylamino]-2-oxoethyl]carbamate
CID 58806823
2-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]-N-methylethanamine;hydrochloride
CID 158524383
2-[4-[3-[ethyl(methyl)carbamoyl]-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethyl N-tert-butylcarbamate
CID 90712631

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-[2-(carbamoylamino)ethoxy]phenyl]-1-(4-methoxyphenyl)pyrazol-3-yl]-1,3,3-trimethylurea?
The IUPAC name of 1-[5-[4-[2-(carbamoylamino)ethoxy]phenyl]-1-(4-methoxyphenyl)pyrazol-3-yl]-1,3,3-trimethylurea (CID 21091141) is 1-[5-[4-[2-(carbamoylamino)ethoxy]phenyl]-1-(4-methoxyphenyl)pyrazol-3-yl]-1,3,3-trimethylurea.
What is the SMILES notation for 1-[5-[4-[2-(carbamoylamino)ethoxy]phenyl]-1-(4-methoxyphenyl)pyrazol-3-yl]-1,3,3-trimethylurea?
The canonical SMILES for 1-[5-[4-[2-(carbamoylamino)ethoxy]phenyl]-1-(4-methoxyphenyl)pyrazol-3-yl]-1,3,3-trimethylurea is COc1ccc(-n2nc(N(C)C(=O)N(C)C)cc2-c2ccc(OCCNC(N)=O)cc2)cc1.
What is the InChIKey of 1-[5-[4-[2-(carbamoylamino)ethoxy]phenyl]-1-(4-methoxyphenyl)pyrazol-3-yl]-1,3,3-trimethylurea?
The InChIKey is YQZLLRFTBQOXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O4/c1-27(2)23(31)28(3)21-15-20(29(26-21)17-7-11-18(32-4)12-8-17)16-5-9-19(10-6-16)33-14-13-25-22(24)30/h5-12,15H,13-14H2,1-4H3,(H3,24,25,30).
What are the key properties of 1-[5-[4-[2-(carbamoylamino)ethoxy]phenyl]-1-(4-methoxyphenyl)pyrazol-3-yl]-1,3,3-trimethylurea?
1-[5-[4-[2-(carbamoylamino)ethoxy]phenyl]-1-(4-methoxyphenyl)pyrazol-3-yl]-1,3,3-trimethylurea has a molecular weight of 452.52 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-[2-(carbamoylamino)ethoxy]phenyl]-1-(4-methoxyphenyl)pyrazol-3-yl]-1,3,3-trimethylurea is sourced from PubChem (CID 21091141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).