1-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)urea

C15H24N4O — CID 97433597

IUPAC1-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)urea
SMILESCCn1cc(NC(=O)N[C@@H](C)C2=CCCCC2)c(C)n1
InChIInChI=1S/C15H24N4O/c1-4-19-10-14(12(3)18-19)17-15(20)16-11(2)13-8-6-5-7-9-13/h8,10-11H,4-7,9H2,1-3H3,(H2,16,17,20)/t11-/m0/s1
InChIKeyUEULOPKUSSQBCU-NSHDSACASA-N
MW276.38 g/mol
LogP3.22
Rot. Bonds4

About 1-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)urea

1-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)urea (PubChem CID 97433597) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)urea
PubChem CID97433597
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)urea
SMILESCCn1cc(NC(=O)N[C@@H](C)C2=CCCCC2)c(C)n1
InChIInChI=1S/C15H24N4O/c1-4-19-10-14(12(3)18-19)17-15(20)16-11(2)13-8-6-5-7-9-13/h8,10-11H,4-7,9H2,1-3H3,(H2,16,17,20)/t11-/m0/s1
InChIKeyUEULOPKUSSQBCU-NSHDSACASA-N
XLogP3.22
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)urea?
The IUPAC name of 1-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)urea (CID 97433597) is 1-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)urea.
What is the SMILES notation for 1-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)urea?
The canonical SMILES for 1-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)urea is CCn1cc(NC(=O)N[C@@H](C)C2=CCCCC2)c(C)n1.
What is the InChIKey of 1-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)urea?
The InChIKey is UEULOPKUSSQBCU-NSHDSACASA-N. The full InChI is InChI=1S/C15H24N4O/c1-4-19-10-14(12(3)18-19)17-15(20)16-11(2)13-8-6-5-7-9-13/h8,10-11H,4-7,9H2,1-3H3,(H2,16,17,20)/t11-/m0/s1.
What are the key properties of 1-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)urea?
1-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)urea has a molecular weight of 276.38 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(1-ethyl-3-methylpyrazol-4-yl)urea is sourced from PubChem (CID 97433597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).