1-(1-cyclohexylpyrazol-3-yl)-3-(3-methoxypropyl)urea

C14H24N4O2 — CID 100679728

IUPAC1-(1-cyclohexylpyrazol-3-yl)-3-(3-methoxypropyl)urea
SMILESCOCCCNC(=O)Nc1ccn(C2CCCCC2)n1
InChIInChI=1S/C14H24N4O2/c1-20-11-5-9-15-14(19)16-13-8-10-18(17-13)12-6-3-2-4-7-12/h8,10,12H,2-7,9,11H2,1H3,(H2,15,16,17,19)
InChIKeyJQFCMPHWDGDXDH-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.55
Rot. Bonds6

About 1-(1-cyclohexylpyrazol-3-yl)-3-(3-methoxypropyl)urea

1-(1-cyclohexylpyrazol-3-yl)-3-(3-methoxypropyl)urea (PubChem CID 100679728) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(1-cyclohexylpyrazol-3-yl)-3-(3-methoxypropyl)urea.

Molecular Properties

Compound Name1-(1-cyclohexylpyrazol-3-yl)-3-(3-methoxypropyl)urea
PubChem CID100679728
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name1-(1-cyclohexylpyrazol-3-yl)-3-(3-methoxypropyl)urea
SMILESCOCCCNC(=O)Nc1ccn(C2CCCCC2)n1
InChIInChI=1S/C14H24N4O2/c1-20-11-5-9-15-14(19)16-13-8-10-18(17-13)12-6-3-2-4-7-12/h8,10,12H,2-7,9,11H2,1H3,(H2,15,16,17,19)
InChIKeyJQFCMPHWDGDXDH-UHFFFAOYSA-N
XLogP2.55
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.55
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-Butyl-3-(2-cyclohexylpyrazol-3-yl)urea
CID 2103165
1-Butyl-3-(1-methylpyrazol-3-yl)urea
CID 2807715
1-(3-methoxypropyl)-N-(oxan-4-yl)pyrazol-3-amine
CID 71918463
1-[1-(3-Methoxypropyl)pyrazol-3-yl]-3-propylurea
CID 72008027
N-(2-cyclohexylpyrazol-3-yl)acetamide
CID 40199339
N-(2-cyclohexylpyrazol-3-yl)propanamide
CID 40199343
3-(Propan-2-YL)-1-(1-propyl-1H-pyrazol-3-YL)urea
CID 53017230
3-Tert-butyl-1-(1-propyl-1H-pyrazol-3-YL)urea
CID 53017239
1-(1-Ethyl-1H-pyrazol-3-YL)-3-(2-methylpropyl)urea
CID 53017248
1-[1-[2-(Dimethylamino)ethyl]pyrazol-3-yl]-3-pentan-3-ylurea
CID 56795480
N'-(2-cyclohexylpyrazol-3-yl)-N-(3-methoxypropyl)oxamide
CID 56806727
1-(4,4-Dimethylcyclohexyl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea
CID 71992405

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-3-(3-methoxypropyl)urea?
The IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-3-(3-methoxypropyl)urea (CID 100679728) is 1-(1-cyclohexylpyrazol-3-yl)-3-(3-methoxypropyl)urea.
What is the SMILES notation for 1-(1-cyclohexylpyrazol-3-yl)-3-(3-methoxypropyl)urea?
The canonical SMILES for 1-(1-cyclohexylpyrazol-3-yl)-3-(3-methoxypropyl)urea is COCCCNC(=O)Nc1ccn(C2CCCCC2)n1.
What is the InChIKey of 1-(1-cyclohexylpyrazol-3-yl)-3-(3-methoxypropyl)urea?
The InChIKey is JQFCMPHWDGDXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-20-11-5-9-15-14(19)16-13-8-10-18(17-13)12-6-3-2-4-7-12/h8,10,12H,2-7,9,11H2,1H3,(H2,15,16,17,19).
What are the key properties of 1-(1-cyclohexylpyrazol-3-yl)-3-(3-methoxypropyl)urea?
1-(1-cyclohexylpyrazol-3-yl)-3-(3-methoxypropyl)urea has a molecular weight of 280.37 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpyrazol-3-yl)-3-(3-methoxypropyl)urea is sourced from PubChem (CID 100679728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).