1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(2-phenylpyrazol-3-yl)urea

C26H27N5O3 — CID 10863432

IUPAC1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(2-phenylpyrazol-3-yl)urea
SMILESO=C(Nc1ccc(OCCN2CCOCC2)c2ccccc12)Nc1ccnn1-c1ccccc1
InChIInChI=1S/C26H27N5O3/c32-26(29-25-12-13-27-31(25)20-6-2-1-3-7-20)28-23-10-11-24(22-9-5-4-8-21(22)23)34-19-16-30-14-17-33-18-15-30/h1-13H,14-19H2,(H2,28,29,32)
InChIKeyCCSCCHWFDTVWIO-UHFFFAOYSA-N
MW457.53 g/mol
LogP4.38
Rot. Bonds7

About 1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(2-phenylpyrazol-3-yl)urea

1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(2-phenylpyrazol-3-yl)urea (PubChem CID 10863432) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is 1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(2-phenylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(2-phenylpyrazol-3-yl)urea
PubChem CID10863432
Molecular FormulaC26H27N5O3
Molecular Weight457.53 g/mol
Exact Mass457.21
IUPAC Name1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(2-phenylpyrazol-3-yl)urea
SMILESO=C(Nc1ccc(OCCN2CCOCC2)c2ccccc12)Nc1ccnn1-c1ccccc1
InChIInChI=1S/C26H27N5O3/c32-26(29-25-12-13-27-31(25)20-6-2-1-3-7-20)28-23-10-11-24(22-9-5-4-8-21(22)23)34-19-16-30-14-17-33-18-15-30/h1-13H,14-19H2,(H2,28,29,32)
InChIKeyCCSCCHWFDTVWIO-UHFFFAOYSA-N
XLogP4.38
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(2-phenylpyrazol-3-yl)urea?
The IUPAC name of 1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(2-phenylpyrazol-3-yl)urea (CID 10863432) is 1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(2-phenylpyrazol-3-yl)urea.
What is the SMILES notation for 1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(2-phenylpyrazol-3-yl)urea?
The canonical SMILES for 1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(2-phenylpyrazol-3-yl)urea is O=C(Nc1ccc(OCCN2CCOCC2)c2ccccc12)Nc1ccnn1-c1ccccc1.
What is the InChIKey of 1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(2-phenylpyrazol-3-yl)urea?
The InChIKey is CCSCCHWFDTVWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3/c32-26(29-25-12-13-27-31(25)20-6-2-1-3-7-20)28-23-10-11-24(22-9-5-4-8-21(22)23)34-19-16-30-14-17-33-18-15-30/h1-13H,14-19H2,(H2,28,29,32).
What are the key properties of 1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(2-phenylpyrazol-3-yl)urea?
1-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-3-(2-phenylpyrazol-3-yl)urea has a molecular weight of 457.53 g/mol, XLogP of 4.38, 7 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-(2-phenylpyrazol-3-yl)urea is sourced from PubChem (CID 10863432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).