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

C14H24N4O — CID 2103165

IUPAC1-butyl-3-(2-cyclohexylpyrazol-3-yl)urea
SMILESCCCCNC(=O)Nc1ccnn1C1CCCCC1
InChIInChI=1S/C14H24N4O/c1-2-3-10-15-14(19)17-13-9-11-16-18(13)12-7-5-4-6-8-12/h9,11-12H,2-8,10H2,1H3,(H2,15,17,19)
InChIKeyGAHVFJPZNZTMMQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.31
Rot. Bonds5

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

1-butyl-3-(2-cyclohexylpyrazol-3-yl)urea (PubChem CID 2103165) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-butyl-3-(2-cyclohexylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-butyl-3-(2-cyclohexylpyrazol-3-yl)urea
PubChem CID2103165
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-butyl-3-(2-cyclohexylpyrazol-3-yl)urea
SMILESCCCCNC(=O)Nc1ccnn1C1CCCCC1
InChIInChI=1S/C14H24N4O/c1-2-3-10-15-14(19)17-13-9-11-16-18(13)12-7-5-4-6-8-12/h9,11-12H,2-8,10H2,1H3,(H2,15,17,19)
InChIKeyGAHVFJPZNZTMMQ-UHFFFAOYSA-N
XLogP3.31
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-butyl-3-(2-cyclohexylpyrazol-3-yl)urea?
The IUPAC name of 1-butyl-3-(2-cyclohexylpyrazol-3-yl)urea (CID 2103165) is 1-butyl-3-(2-cyclohexylpyrazol-3-yl)urea.
What is the SMILES notation for 1-butyl-3-(2-cyclohexylpyrazol-3-yl)urea?
The canonical SMILES for 1-butyl-3-(2-cyclohexylpyrazol-3-yl)urea is CCCCNC(=O)Nc1ccnn1C1CCCCC1.
What is the InChIKey of 1-butyl-3-(2-cyclohexylpyrazol-3-yl)urea?
The InChIKey is GAHVFJPZNZTMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-2-3-10-15-14(19)17-13-9-11-16-18(13)12-7-5-4-6-8-12/h9,11-12H,2-8,10H2,1H3,(H2,15,17,19).
What are the key properties of 1-butyl-3-(2-cyclohexylpyrazol-3-yl)urea?
1-butyl-3-(2-cyclohexylpyrazol-3-yl)urea has a molecular weight of 264.37 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(2-cyclohexylpyrazol-3-yl)urea is sourced from PubChem (CID 2103165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).