1-cyclohex-2-en-1-yl-3-[2-(1-methylpyrazol-3-yl)ethyl]urea

C13H20N4O — CID 127864776

IUPAC1-cyclohex-2-en-1-yl-3-[2-(1-methylpyrazol-3-yl)ethyl]urea
SMILESCn1ccc(CCNC(=O)NC2C=CCCC2)n1
InChIInChI=1S/C13H20N4O/c1-17-10-8-12(16-17)7-9-14-13(18)15-11-5-3-2-4-6-11/h3,5,8,10-11H,2,4,6-7,9H2,1H3,(H2,14,15,18)
InChIKeyKSUWZGRTOKREDU-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.37
Rot. Bonds4

About 1-cyclohex-2-en-1-yl-3-[2-(1-methylpyrazol-3-yl)ethyl]urea

1-cyclohex-2-en-1-yl-3-[2-(1-methylpyrazol-3-yl)ethyl]urea (PubChem CID 127864776) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-cyclohex-2-en-1-yl-3-[2-(1-methylpyrazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclohex-2-en-1-yl-3-[2-(1-methylpyrazol-3-yl)ethyl]urea
PubChem CID127864776
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-cyclohex-2-en-1-yl-3-[2-(1-methylpyrazol-3-yl)ethyl]urea
SMILESCn1ccc(CCNC(=O)NC2C=CCCC2)n1
InChIInChI=1S/C13H20N4O/c1-17-10-8-12(16-17)7-9-14-13(18)15-11-5-3-2-4-6-11/h3,5,8,10-11H,2,4,6-7,9H2,1H3,(H2,14,15,18)
InChIKeyKSUWZGRTOKREDU-UHFFFAOYSA-N
XLogP1.37
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.37
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

3-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 106105963
2-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid
CID 106106029
cis-(1S,2R)-2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 106104131
(1S,6R)-6-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 106104130
2,2-dimethyl-3-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid
CID 114144062
1-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 106106000
4-(aminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 106104900
1-amino-3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 106105095
2-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]propanamide
CID 106104407
(2R)-2-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]butanedioic acid
CID 106106046
2-[1-(aminomethyl)cyclobutyl]-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106105007
4-methyl-2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106104133

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-2-en-1-yl-3-[2-(1-methylpyrazol-3-yl)ethyl]urea?
The IUPAC name of 1-cyclohex-2-en-1-yl-3-[2-(1-methylpyrazol-3-yl)ethyl]urea (CID 127864776) is 1-cyclohex-2-en-1-yl-3-[2-(1-methylpyrazol-3-yl)ethyl]urea.
What is the SMILES notation for 1-cyclohex-2-en-1-yl-3-[2-(1-methylpyrazol-3-yl)ethyl]urea?
The canonical SMILES for 1-cyclohex-2-en-1-yl-3-[2-(1-methylpyrazol-3-yl)ethyl]urea is Cn1ccc(CCNC(=O)NC2C=CCCC2)n1.
What is the InChIKey of 1-cyclohex-2-en-1-yl-3-[2-(1-methylpyrazol-3-yl)ethyl]urea?
The InChIKey is KSUWZGRTOKREDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-17-10-8-12(16-17)7-9-14-13(18)15-11-5-3-2-4-6-11/h3,5,8,10-11H,2,4,6-7,9H2,1H3,(H2,14,15,18).
What are the key properties of 1-cyclohex-2-en-1-yl-3-[2-(1-methylpyrazol-3-yl)ethyl]urea?
1-cyclohex-2-en-1-yl-3-[2-(1-methylpyrazol-3-yl)ethyl]urea has a molecular weight of 248.33 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-2-en-1-yl-3-[2-(1-methylpyrazol-3-yl)ethyl]urea is sourced from PubChem (CID 127864776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).