1-(3-butoxypropyl)-3-(1,5-dimethylpyrazol-3-yl)urea

C13H24N4O2 — CID 108813274

IUPAC1-(3-butoxypropyl)-3-(1,5-dimethylpyrazol-3-yl)urea
SMILESCCCCOCCCNC(=O)Nc1cc(C)n(C)n1
InChIInChI=1S/C13H24N4O2/c1-4-5-8-19-9-6-7-14-13(18)15-12-10-11(2)17(3)16-12/h10H,4-9H2,1-3H3,(H2,14,15,16,18)
InChIKeyRZENCSFZTZEXMC-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.06
Rot. Bonds8

About 1-(3-butoxypropyl)-3-(1,5-dimethylpyrazol-3-yl)urea

1-(3-butoxypropyl)-3-(1,5-dimethylpyrazol-3-yl)urea (PubChem CID 108813274) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(3-butoxypropyl)-3-(1,5-dimethylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(3-butoxypropyl)-3-(1,5-dimethylpyrazol-3-yl)urea
PubChem CID108813274
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name1-(3-butoxypropyl)-3-(1,5-dimethylpyrazol-3-yl)urea
SMILESCCCCOCCCNC(=O)Nc1cc(C)n(C)n1
InChIInChI=1S/C13H24N4O2/c1-4-5-8-19-9-6-7-14-13(18)15-12-10-11(2)17(3)16-12/h10H,4-9H2,1-3H3,(H2,14,15,16,18)
InChIKeyRZENCSFZTZEXMC-UHFFFAOYSA-N
XLogP2.06
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.06
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

1-(3-butoxypropyl)-3-(3,5-dimethylphenyl)urea
CID 127566183
N-(1,5-dimethylpyrazol-3-yl)-3-methoxypropanamide
CID 35761217
1-(3-butoxypropyl)-3-[(2,4-dimethylphenoxy)methyl]urea
CID 108870596
1-(1,5-dimethylpyrazol-3-yl)-3-(2-ethylphenyl)urea
CID 108813453
1-(3-butoxypropyl)-3-(2-chlorophenyl)urea
CID 78793865
1-(2-butoxyethyl)-3-(3-methylphenyl)urea
CID 141077224
1-(5-bromofuran-2-yl)-3-(3-butoxypropyl)urea
CID 108872832
1-(3-butoxypropyl)-3-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]urea
CID 60616709
1-(3-butoxypropyl)-3-[(2-tert-butyl-4-methylphenoxy)methyl]urea
CID 108877525
3,5-diamino-N-(3-butoxypropyl)benzamide
CID 115597711
2-bromo-N-(1,5-dimethylpyrazol-3-yl)butanamide
CID 130496769
1-butyl-3-(1-methyl-4-sulfamoylpyrazol-3-yl)urea
CID 61132638

Frequently Asked Questions

What is the IUPAC name of 1-(3-butoxypropyl)-3-(1,5-dimethylpyrazol-3-yl)urea?
The IUPAC name of 1-(3-butoxypropyl)-3-(1,5-dimethylpyrazol-3-yl)urea (CID 108813274) is 1-(3-butoxypropyl)-3-(1,5-dimethylpyrazol-3-yl)urea.
What is the SMILES notation for 1-(3-butoxypropyl)-3-(1,5-dimethylpyrazol-3-yl)urea?
The canonical SMILES for 1-(3-butoxypropyl)-3-(1,5-dimethylpyrazol-3-yl)urea is CCCCOCCCNC(=O)Nc1cc(C)n(C)n1.
What is the InChIKey of 1-(3-butoxypropyl)-3-(1,5-dimethylpyrazol-3-yl)urea?
The InChIKey is RZENCSFZTZEXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-4-5-8-19-9-6-7-14-13(18)15-12-10-11(2)17(3)16-12/h10H,4-9H2,1-3H3,(H2,14,15,16,18).
What are the key properties of 1-(3-butoxypropyl)-3-(1,5-dimethylpyrazol-3-yl)urea?
1-(3-butoxypropyl)-3-(1,5-dimethylpyrazol-3-yl)urea has a molecular weight of 268.36 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butoxypropyl)-3-(1,5-dimethylpyrazol-3-yl)urea is sourced from PubChem (CID 108813274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).