1-(2,4-dimethylcyclohexyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]urea

C15H26N4O — CID 75522810

IUPAC1-(2,4-dimethylcyclohexyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
SMILESCC1CCC(NC(=O)NCCc2ccnn2C)C(C)C1
InChIInChI=1S/C15H26N4O/c1-11-4-5-14(12(2)10-11)18-15(20)16-8-6-13-7-9-17-19(13)3/h7,9,11-12,14H,4-6,8,10H2,1-3H3,(H2,16,18,20)
InChIKeyYNGJOAXAJRALGG-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.09
Rot. Bonds4

About 1-(2,4-dimethylcyclohexyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]urea

1-(2,4-dimethylcyclohexyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]urea (PubChem CID 75522810) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(2,4-dimethylcyclohexyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2,4-dimethylcyclohexyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
PubChem CID75522810
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-(2,4-dimethylcyclohexyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
SMILESCC1CCC(NC(=O)NCCc2ccnn2C)C(C)C1
InChIInChI=1S/C15H26N4O/c1-11-4-5-14(12(2)10-11)18-15(20)16-8-6-13-7-9-17-19(13)3/h7,9,11-12,14H,4-6,8,10H2,1-3H3,(H2,16,18,20)
InChIKeyYNGJOAXAJRALGG-UHFFFAOYSA-N
XLogP2.09
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylcyclohexyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]urea?
The IUPAC name of 1-(2,4-dimethylcyclohexyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]urea (CID 75522810) is 1-(2,4-dimethylcyclohexyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]urea.
What is the SMILES notation for 1-(2,4-dimethylcyclohexyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]urea?
The canonical SMILES for 1-(2,4-dimethylcyclohexyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]urea is CC1CCC(NC(=O)NCCc2ccnn2C)C(C)C1.
What is the InChIKey of 1-(2,4-dimethylcyclohexyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]urea?
The InChIKey is YNGJOAXAJRALGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-11-4-5-14(12(2)10-11)18-15(20)16-8-6-13-7-9-17-19(13)3/h7,9,11-12,14H,4-6,8,10H2,1-3H3,(H2,16,18,20).
What are the key properties of 1-(2,4-dimethylcyclohexyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]urea?
1-(2,4-dimethylcyclohexyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]urea has a molecular weight of 278.40 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylcyclohexyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]urea is sourced from PubChem (CID 75522810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).