1-(5-phenoxy-2-pyridinyl)-3-(3-pyrazol-1-ylpropyl)urea

C18H19N5O2 — CID 75456115

IUPAC1-(5-phenoxy-2-pyridinyl)-3-(3-pyrazol-1-ylpropyl)urea
SMILESO=C(NCCCn1cccn1)Nc1ccc(Oc2ccccc2)cn1
InChIInChI=1S/C18H19N5O2/c24-18(19-10-4-12-23-13-5-11-21-23)22-17-9-8-16(14-20-17)25-15-6-2-1-3-7-15/h1-3,5-9,11,13-14H,4,10,12H2,(H2,19,20,22,24)
InChIKeyDXYFRUWSDRPLTG-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.28
Rot. Bonds7

About 1-(5-phenoxy-2-pyridinyl)-3-(3-pyrazol-1-ylpropyl)urea

1-(5-phenoxy-2-pyridinyl)-3-(3-pyrazol-1-ylpropyl)urea (PubChem CID 75456115) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-(5-phenoxy-2-pyridinyl)-3-(3-pyrazol-1-ylpropyl)urea.

Molecular Properties

Compound Name1-(5-phenoxy-2-pyridinyl)-3-(3-pyrazol-1-ylpropyl)urea
PubChem CID75456115
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name1-(5-phenoxy-2-pyridinyl)-3-(3-pyrazol-1-ylpropyl)urea
SMILESO=C(NCCCn1cccn1)Nc1ccc(Oc2ccccc2)cn1
InChIInChI=1S/C18H19N5O2/c24-18(19-10-4-12-23-13-5-11-21-23)22-17-9-8-16(14-20-17)25-15-6-2-1-3-7-15/h1-3,5-9,11,13-14H,4,10,12H2,(H2,19,20,22,24)
InChIKeyDXYFRUWSDRPLTG-UHFFFAOYSA-N
XLogP3.28
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(5-fluoro-2-pyridinyl)-3-(2-pyrazol-1-ylethyl)urea
CID 99599215
1-(3-methyl-4-pyridinyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 75438221
1-phenyl-3-(2-pyrazol-1-ylethyl)urea
CID 110747699
1-(5-chloro-2-pyridinyl)-3-(3-phenoxypropyl)urea
CID 108883302
1-[2-(4-propan-2-ylphenoxy)ethyl]-3-(3-pyrazol-1-ylpropyl)urea
CID 86995782
1-(3-pyrazol-1-ylpropyl)-3-[2-(trifluoromethylsulfanyl)phenyl]urea
CID 87010339
6-(4-bromophenoxy)-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
CID 55792268
2-(4-methylphenoxy)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 47025675
1-(8-oxabicyclo[3.2.1]octan-3-ylmethyl)-3-(5-phenoxy-2-pyridinyl)urea
CID 166331322
1-(5-chloro-2-fluorophenyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 47199081
N-(10-pyrazol-1-yldecyl)benzamide
CID 14662167
2-hydroxy-2,2-diphenyl-N-(3-pyrazol-1-ylpropyl)acetamide
CID 110887930

Frequently Asked Questions

What is the IUPAC name of 1-(5-phenoxy-2-pyridinyl)-3-(3-pyrazol-1-ylpropyl)urea?
The IUPAC name of 1-(5-phenoxy-2-pyridinyl)-3-(3-pyrazol-1-ylpropyl)urea (CID 75456115) is 1-(5-phenoxy-2-pyridinyl)-3-(3-pyrazol-1-ylpropyl)urea.
What is the SMILES notation for 1-(5-phenoxy-2-pyridinyl)-3-(3-pyrazol-1-ylpropyl)urea?
The canonical SMILES for 1-(5-phenoxy-2-pyridinyl)-3-(3-pyrazol-1-ylpropyl)urea is O=C(NCCCn1cccn1)Nc1ccc(Oc2ccccc2)cn1.
What is the InChIKey of 1-(5-phenoxy-2-pyridinyl)-3-(3-pyrazol-1-ylpropyl)urea?
The InChIKey is DXYFRUWSDRPLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c24-18(19-10-4-12-23-13-5-11-21-23)22-17-9-8-16(14-20-17)25-15-6-2-1-3-7-15/h1-3,5-9,11,13-14H,4,10,12H2,(H2,19,20,22,24).
What are the key properties of 1-(5-phenoxy-2-pyridinyl)-3-(3-pyrazol-1-ylpropyl)urea?
1-(5-phenoxy-2-pyridinyl)-3-(3-pyrazol-1-ylpropyl)urea has a molecular weight of 337.38 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenoxy-2-pyridinyl)-3-(3-pyrazol-1-ylpropyl)urea is sourced from PubChem (CID 75456115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).