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

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).