1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea

C29H33N5O3 — CID 10185343

IUPAC1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea
SMILESCC(C)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)n(-c2ccccc2)n1
InChIInChI=1S/C29H33N5O3/c1-21(2)26-20-28(34(32-26)22-8-4-3-5-9-22)31-29(35)30-25-12-13-27(24-11-7-6-10-23(24)25)37-19-16-33-14-17-36-18-15-33/h3-13,20-21H,14-19H2,1-2H3,(H2,30,31,35)
InChIKeyBLSGQTZPQMDWPC-UHFFFAOYSA-N
MW499.62 g/mol
LogP5.50
Rot. Bonds8

About 1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea

1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea (PubChem CID 10185343) has the molecular formula C29H33N5O3 and a molecular weight of 499.62 g/mol. Its IUPAC name is 1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea.

Molecular Properties

Compound Name1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea
PubChem CID10185343
Molecular FormulaC29H33N5O3
Molecular Weight499.62 g/mol
Exact Mass499.26
IUPAC Name1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea
SMILESCC(C)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)n(-c2ccccc2)n1
InChIInChI=1S/C29H33N5O3/c1-21(2)26-20-28(34(32-26)22-8-4-3-5-9-22)31-29(35)30-25-12-13-27(24-11-7-6-10-23(24)25)37-19-16-33-14-17-36-18-15-33/h3-13,20-21H,14-19H2,1-2H3,(H2,30,31,35)
InChIKeyBLSGQTZPQMDWPC-UHFFFAOYSA-N
XLogP5.50
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.62
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea 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

Doramapimod
CID 156422
Jnj-49095397
CID 45109868
1-[5-Tert-butyl-2-p-tolyl-2h-pyrazol-3-yl]-3-[4-(2-(1-oxothiomorpholin-4-yl)ethoxy)naphthalen-1-yl]-urea
CID 9850770
3-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)-1-{4-[2-(morpholin-4-yl)ethoxy]naphthalen-1-yl}urea
CID 9892658
3-[3-tert-butyl-1-(6-methylpyridin-3-yl)-1H-pyrazol-5-yl]-1-{4-[2-(morpholin-4-yl)ethoxy]naphthalen-1-yl}urea
CID 9936768
3-[3-tert-butyl-1-(6-methoxypyridin-3-yl)-1H-pyrazol-5-yl]-1-{4-[2-(morpholin-4-yl)ethoxy]naphthalen-1-yl}urea
CID 10165915
3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-1-{4-[2-(pyridin-4-yl)ethoxy]naphthalen-1-yl}urea
CID 10229750
1-(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(2-imidazol-1-yl-ethoxy)-naphthalen-1-yl]-urea
CID 10301047
3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-1-(4-{2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethoxy}naphthalen-1-yl)urea
CID 11731370
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]naphthalen-1-yl]urea
CID 46198319
1-[2-(4-Aminophenyl)-5-tert-butyl-2H-pyrazol-3-yl]-3-[4-(2-morpholin-4-yl-ethoxy)-naphthalen-1-yl]urea
CID 10256389
1-[2-(3-Aminophenyl)-5-tert-butyl-2H-pyrazol-3-yl]-3-[4-(2-morpholin-4-yl-ethoxy)-naphthalen-1-yl]urea
CID 10896702

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea?
The IUPAC name of 1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea (CID 10185343) is 1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea.
What is the SMILES notation for 1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea?
The canonical SMILES for 1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea is CC(C)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)n(-c2ccccc2)n1.
What is the InChIKey of 1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea?
The InChIKey is BLSGQTZPQMDWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O3/c1-21(2)26-20-28(34(32-26)22-8-4-3-5-9-22)31-29(35)30-25-12-13-27(24-11-7-6-10-23(24)25)37-19-16-33-14-17-36-18-15-33/h3-13,20-21H,14-19H2,1-2H3,(H2,30,31,35).
What are the key properties of 1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea?
1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea has a molecular weight of 499.62 g/mol, XLogP of 5.50, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(1-phenyl-3-propan-2-ylpyrazol-5-yl)urea is sourced from PubChem (CID 10185343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).