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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Related Compounds

1-Cyclohexyl-3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]urea
CID 831712
1-Cyclohexyl-3-[(2-ethylpyrazol-3-yl)methyl]urea
CID 17270110
N-cyclohexyl-N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]urea
CID 841979
1-(4-Methylhexan-2-yl)-3-[(1-propan-2-ylpyrazol-3-yl)methyl]urea
CID 71989904
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[(1-methylpyrazol-4-yl)amino]propanamide
CID 97880961
N-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-N'-[(1-methyl-1H-pyrazol-4-yl)methyl]urea
CID 118762532
1-[2-(Cyclohepten-1-yl)ethyl]-3-[2-(1-methylpyrazol-3-yl)ethyl]urea
CID 121585806
1-(2-Fluoroethyl)-3-(1-methyl-3-propan-2-ylpyrazol-4-yl)urea
CID 132384581
3-[1-[(2S)-butan-2-yl]-5-methylpyrazol-4-yl]-1-ethyl-1-(2-methylprop-2-enyl)urea
CID 164631155
1-[1-[(1S)-1-cyclopropylethyl]pyrazol-4-yl]-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea
CID 164636152
1-cyclohexyl-3-{1-[3-(trifluoromethyl)-1H-pyrazol-1-yl]propan-2-yl}urea
CID 17026430
(1R,5S)-3-[2-[(1,3-dimethylpyrazol-4-yl)amino]-5-methyl-1,2-dihydropyrimidin-6-yl]-N-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide
CID 164075286

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).