1-[3-(furan-2-ylmethoxy)propyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea

C20H24N4O3 — CID 86994306

IUPAC1-[3-(furan-2-ylmethoxy)propyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
SMILESO=C(NCCCOCc1ccco1)NCc1ccccc1Cn1cccn1
InChIInChI=1S/C20H24N4O3/c25-20(21-9-5-12-26-16-19-8-3-13-27-19)22-14-17-6-1-2-7-18(17)15-24-11-4-10-23-24/h1-4,6-8,10-11,13H,5,9,12,14-16H2,(H2,21,22,25)
InChIKeyCJVGCGINXHJREB-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.93
Rot. Bonds10

About 1-[3-(furan-2-ylmethoxy)propyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea

1-[3-(furan-2-ylmethoxy)propyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea (PubChem CID 86994306) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-[3-(furan-2-ylmethoxy)propyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[3-(furan-2-ylmethoxy)propyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
PubChem CID86994306
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name1-[3-(furan-2-ylmethoxy)propyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
SMILESO=C(NCCCOCc1ccco1)NCc1ccccc1Cn1cccn1
InChIInChI=1S/C20H24N4O3/c25-20(21-9-5-12-26-16-19-8-3-13-27-19)22-14-17-6-1-2-7-18(17)15-24-11-4-10-23-24/h1-4,6-8,10-11,13H,5,9,12,14-16H2,(H2,21,22,25)
InChIKeyCJVGCGINXHJREB-UHFFFAOYSA-N
XLogP2.93
TPSA81.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.93
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-(furan-2-ylmethyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 47176690
1-(3,3-diphenylpropyl)-3-[3-(furan-2-ylmethoxy)propyl]urea
CID 31964425
1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111400290
(2R)-N-[3-(furan-2-ylmethoxy)propyl]-2-imidazol-1-ylpropanamide
CID 94176412
1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methoxyphenyl)urea
CID 24528840
1-[3-(furan-2-ylmethoxy)propyl]-3-pyridin-3-ylurea
CID 47126067
1-(3-butoxypropyl)-2-methyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111239584
4-(furan-2-ylmethylsulfamoyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 41419539
N-[3-(furan-2-ylmethoxy)propyl]-3-methyl-2-phenylpentanamide
CID 78835063
4-[3-(furan-2-ylmethoxy)propylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496827
2-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide
CID 24684926
1-[3-(furan-2-ylmethoxy)propyl]-3-(2-methylpropoxy)urea
CID 75431227

Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-2-ylmethoxy)propyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea?
The IUPAC name of 1-[3-(furan-2-ylmethoxy)propyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea (CID 86994306) is 1-[3-(furan-2-ylmethoxy)propyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[3-(furan-2-ylmethoxy)propyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea?
The canonical SMILES for 1-[3-(furan-2-ylmethoxy)propyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea is O=C(NCCCOCc1ccco1)NCc1ccccc1Cn1cccn1.
What is the InChIKey of 1-[3-(furan-2-ylmethoxy)propyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea?
The InChIKey is CJVGCGINXHJREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c25-20(21-9-5-12-26-16-19-8-3-13-27-19)22-14-17-6-1-2-7-18(17)15-24-11-4-10-23-24/h1-4,6-8,10-11,13H,5,9,12,14-16H2,(H2,21,22,25).
What are the key properties of 1-[3-(furan-2-ylmethoxy)propyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea?
1-[3-(furan-2-ylmethoxy)propyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea has a molecular weight of 368.44 g/mol, XLogP of 2.93, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-2-ylmethoxy)propyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea is sourced from PubChem (CID 86994306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).