1-[3-(oxan-2-yl)propyl]-3-(1-propan-2-ylpyrazol-4-yl)urea

C15H26N4O2 — CID 75484975

IUPAC1-[3-(oxan-2-yl)propyl]-3-(1-propan-2-ylpyrazol-4-yl)urea
SMILESCC(C)n1cc(NC(=O)NCCCC2CCCCO2)cn1
InChIInChI=1S/C15H26N4O2/c1-12(2)19-11-13(10-17-19)18-15(20)16-8-5-7-14-6-3-4-9-21-14/h10-12,14H,3-9H2,1-2H3,(H2,16,18,20)
InChIKeyYCDDDZWCECPUQM-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.93
Rot. Bonds6

About 1-[3-(oxan-2-yl)propyl]-3-(1-propan-2-ylpyrazol-4-yl)urea

1-[3-(oxan-2-yl)propyl]-3-(1-propan-2-ylpyrazol-4-yl)urea (PubChem CID 75484975) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[3-(oxan-2-yl)propyl]-3-(1-propan-2-ylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[3-(oxan-2-yl)propyl]-3-(1-propan-2-ylpyrazol-4-yl)urea
PubChem CID75484975
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name1-[3-(oxan-2-yl)propyl]-3-(1-propan-2-ylpyrazol-4-yl)urea
SMILESCC(C)n1cc(NC(=O)NCCCC2CCCCO2)cn1
InChIInChI=1S/C15H26N4O2/c1-12(2)19-11-13(10-17-19)18-15(20)16-8-5-7-14-6-3-4-9-21-14/h10-12,14H,3-9H2,1-2H3,(H2,16,18,20)
InChIKeyYCDDDZWCECPUQM-UHFFFAOYSA-N
XLogP2.93
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.93
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-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-3-propan-2-ylurea
CID 121145347
1-hexyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 87037443
1-(3-hydroxy-4-methylpentyl)-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 111618216
1-(3-butoxypropyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 87037539
1-(5-hydroxy-4,4-dimethylpentyl)-3-(1-propan-2-ylpyrazol-4-yl)urea
CID 111618223
1-[(1-methylpyrrol-3-yl)methyl]-3-[3-[(2S)-oxan-2-yl]propyl]urea
CID 97306655
1-(3-cyclohexyloxypropyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 87038226
N'-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-N-(1-propan-2-ylpyrazol-4-yl)oxamide
CID 95973999
1-[3-(1-methylpyrazol-4-yl)propyl]-3-[4-[[(2S)-oxan-2-yl]methoxy]phenyl]urea
CID 125177372
3-[3-(oxan-2-yl)propylcarbamoylamino]propanoic acid
CID 122009972
1-[2-(4-methylpiperidin-1-yl)ethyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 136578353
1-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]-3-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)urea
CID 95354610

Frequently Asked Questions

What is the IUPAC name of 1-[3-(oxan-2-yl)propyl]-3-(1-propan-2-ylpyrazol-4-yl)urea?
The IUPAC name of 1-[3-(oxan-2-yl)propyl]-3-(1-propan-2-ylpyrazol-4-yl)urea (CID 75484975) is 1-[3-(oxan-2-yl)propyl]-3-(1-propan-2-ylpyrazol-4-yl)urea.
What is the SMILES notation for 1-[3-(oxan-2-yl)propyl]-3-(1-propan-2-ylpyrazol-4-yl)urea?
The canonical SMILES for 1-[3-(oxan-2-yl)propyl]-3-(1-propan-2-ylpyrazol-4-yl)urea is CC(C)n1cc(NC(=O)NCCCC2CCCCO2)cn1.
What is the InChIKey of 1-[3-(oxan-2-yl)propyl]-3-(1-propan-2-ylpyrazol-4-yl)urea?
The InChIKey is YCDDDZWCECPUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-12(2)19-11-13(10-17-19)18-15(20)16-8-5-7-14-6-3-4-9-21-14/h10-12,14H,3-9H2,1-2H3,(H2,16,18,20).
What are the key properties of 1-[3-(oxan-2-yl)propyl]-3-(1-propan-2-ylpyrazol-4-yl)urea?
1-[3-(oxan-2-yl)propyl]-3-(1-propan-2-ylpyrazol-4-yl)urea has a molecular weight of 294.40 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(oxan-2-yl)propyl]-3-(1-propan-2-ylpyrazol-4-yl)urea is sourced from PubChem (CID 75484975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).