1-[2-(4-propan-2-ylphenoxy)ethyl]-3-(3-pyrazol-1-ylpropyl)urea

C18H26N4O2 — CID 86995782

IUPAC1-[2-(4-propan-2-ylphenoxy)ethyl]-3-(3-pyrazol-1-ylpropyl)urea
SMILESCC(C)c1ccc(OCCNC(=O)NCCCn2cccn2)cc1
InChIInChI=1S/C18H26N4O2/c1-15(2)16-5-7-17(8-6-16)24-14-11-20-18(23)19-9-3-12-22-13-4-10-21-22/h4-8,10,13,15H,3,9,11-12,14H2,1-2H3,(H2,19,20,23)
InChIKeyWXXCOEADTVTCFM-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.77
Rot. Bonds9

About 1-[2-(4-propan-2-ylphenoxy)ethyl]-3-(3-pyrazol-1-ylpropyl)urea

1-[2-(4-propan-2-ylphenoxy)ethyl]-3-(3-pyrazol-1-ylpropyl)urea (PubChem CID 86995782) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[2-(4-propan-2-ylphenoxy)ethyl]-3-(3-pyrazol-1-ylpropyl)urea.

Molecular Properties

Compound Name1-[2-(4-propan-2-ylphenoxy)ethyl]-3-(3-pyrazol-1-ylpropyl)urea
PubChem CID86995782
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name1-[2-(4-propan-2-ylphenoxy)ethyl]-3-(3-pyrazol-1-ylpropyl)urea
SMILESCC(C)c1ccc(OCCNC(=O)NCCCn2cccn2)cc1
InChIInChI=1S/C18H26N4O2/c1-15(2)16-5-7-17(8-6-16)24-14-11-20-18(23)19-9-3-12-22-13-4-10-21-22/h4-8,10,13,15H,3,9,11-12,14H2,1-2H3,(H2,19,20,23)
InChIKeyWXXCOEADTVTCFM-UHFFFAOYSA-N
XLogP2.77
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methoxyphenoxy)-N-(3-pyrazol-1-ylpropyl)butanamide
CID 37394128
N-[1-(4-propan-2-ylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 115708568
2-(4-methylphenoxy)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 47025675
2-ethyl-N-[2-(4-propan-2-ylphenoxy)ethyl]butanamide
CID 113100320
1-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(3-pyrazol-1-ylpropyl)urea
CID 94168661
2-hydroxy-N-[2-(4-propan-2-ylphenoxy)ethyl]acetamide
CID 94687173
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[2-(4-propan-2-ylphenoxy)ethyl]urea
CID 111618593
1-[2-(4-butoxyphenyl)ethyl]-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111906267
1-(5-phenoxy-2-pyridinyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 75456115
1-(2-hydroxypentyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 111337992
1-(4-methoxyphenyl)-3-[2-(4-propan-2-ylphenoxy)ethyl]urea
CID 112972614
1-[2-(4-methoxyphenoxy)ethyl]-3-(4-propan-2-ylphenyl)urea
CID 108990560

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-propan-2-ylphenoxy)ethyl]-3-(3-pyrazol-1-ylpropyl)urea?
The IUPAC name of 1-[2-(4-propan-2-ylphenoxy)ethyl]-3-(3-pyrazol-1-ylpropyl)urea (CID 86995782) is 1-[2-(4-propan-2-ylphenoxy)ethyl]-3-(3-pyrazol-1-ylpropyl)urea.
What is the SMILES notation for 1-[2-(4-propan-2-ylphenoxy)ethyl]-3-(3-pyrazol-1-ylpropyl)urea?
The canonical SMILES for 1-[2-(4-propan-2-ylphenoxy)ethyl]-3-(3-pyrazol-1-ylpropyl)urea is CC(C)c1ccc(OCCNC(=O)NCCCn2cccn2)cc1.
What is the InChIKey of 1-[2-(4-propan-2-ylphenoxy)ethyl]-3-(3-pyrazol-1-ylpropyl)urea?
The InChIKey is WXXCOEADTVTCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-15(2)16-5-7-17(8-6-16)24-14-11-20-18(23)19-9-3-12-22-13-4-10-21-22/h4-8,10,13,15H,3,9,11-12,14H2,1-2H3,(H2,19,20,23).
What are the key properties of 1-[2-(4-propan-2-ylphenoxy)ethyl]-3-(3-pyrazol-1-ylpropyl)urea?
1-[2-(4-propan-2-ylphenoxy)ethyl]-3-(3-pyrazol-1-ylpropyl)urea has a molecular weight of 330.43 g/mol, XLogP of 2.77, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-propan-2-ylphenoxy)ethyl]-3-(3-pyrazol-1-ylpropyl)urea is sourced from PubChem (CID 86995782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).