1-(3-cyclohexyloxypropyl)-3-(2-cyclohexylpyrazol-3-yl)urea

C19H32N4O2 — CID 51117955

IUPAC1-(3-cyclohexyloxypropyl)-3-(2-cyclohexylpyrazol-3-yl)urea
SMILESO=C(NCCCOC1CCCCC1)Nc1ccnn1C1CCCCC1
InChIInChI=1S/C19H32N4O2/c24-19(20-13-7-15-25-17-10-5-2-6-11-17)22-18-12-14-21-23(18)16-8-3-1-4-9-16/h12,14,16-17H,1-11,13,15H2,(H2,20,22,24)
InChIKeyPEHBFJBEVRVDOE-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.25
Rot. Bonds7

About 1-(3-cyclohexyloxypropyl)-3-(2-cyclohexylpyrazol-3-yl)urea

1-(3-cyclohexyloxypropyl)-3-(2-cyclohexylpyrazol-3-yl)urea (PubChem CID 51117955) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-(3-cyclohexyloxypropyl)-3-(2-cyclohexylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(3-cyclohexyloxypropyl)-3-(2-cyclohexylpyrazol-3-yl)urea
PubChem CID51117955
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name1-(3-cyclohexyloxypropyl)-3-(2-cyclohexylpyrazol-3-yl)urea
SMILESO=C(NCCCOC1CCCCC1)Nc1ccnn1C1CCCCC1
InChIInChI=1S/C19H32N4O2/c24-19(20-13-7-15-25-17-10-5-2-6-11-17)22-18-12-14-21-23(18)16-8-3-1-4-9-16/h12,14,16-17H,1-11,13,15H2,(H2,20,22,24)
InChIKeyPEHBFJBEVRVDOE-UHFFFAOYSA-N
XLogP4.25
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.25
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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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexyloxypropyl)-3-(2-cyclohexylpyrazol-3-yl)urea?
The IUPAC name of 1-(3-cyclohexyloxypropyl)-3-(2-cyclohexylpyrazol-3-yl)urea (CID 51117955) is 1-(3-cyclohexyloxypropyl)-3-(2-cyclohexylpyrazol-3-yl)urea.
What is the SMILES notation for 1-(3-cyclohexyloxypropyl)-3-(2-cyclohexylpyrazol-3-yl)urea?
The canonical SMILES for 1-(3-cyclohexyloxypropyl)-3-(2-cyclohexylpyrazol-3-yl)urea is O=C(NCCCOC1CCCCC1)Nc1ccnn1C1CCCCC1.
What is the InChIKey of 1-(3-cyclohexyloxypropyl)-3-(2-cyclohexylpyrazol-3-yl)urea?
The InChIKey is PEHBFJBEVRVDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c24-19(20-13-7-15-25-17-10-5-2-6-11-17)22-18-12-14-21-23(18)16-8-3-1-4-9-16/h12,14,16-17H,1-11,13,15H2,(H2,20,22,24).
What are the key properties of 1-(3-cyclohexyloxypropyl)-3-(2-cyclohexylpyrazol-3-yl)urea?
1-(3-cyclohexyloxypropyl)-3-(2-cyclohexylpyrazol-3-yl)urea has a molecular weight of 348.49 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexyloxypropyl)-3-(2-cyclohexylpyrazol-3-yl)urea is sourced from PubChem (CID 51117955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).