1-cyclohexyl-1-methyl-3-(2-methylpyrazol-3-yl)urea

C12H20N4O — CID 108813610

IUPAC1-cyclohexyl-1-methyl-3-(2-methylpyrazol-3-yl)urea
SMILESCN(C(=O)Nc1ccnn1C)C1CCCCC1
InChIInChI=1S/C12H20N4O/c1-15(10-6-4-3-5-7-10)12(17)14-11-8-9-13-16(11)2/h8-10H,3-7H2,1-2H3,(H,14,17)
InChIKeyJMYSZQDECXTOJQ-UHFFFAOYSA-N
MW236.32 g/mol
LogP2.22
Rot. Bonds2

About 1-cyclohexyl-1-methyl-3-(2-methylpyrazol-3-yl)urea

1-cyclohexyl-1-methyl-3-(2-methylpyrazol-3-yl)urea (PubChem CID 108813610) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-cyclohexyl-1-methyl-3-(2-methylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-cyclohexyl-1-methyl-3-(2-methylpyrazol-3-yl)urea
PubChem CID108813610
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-cyclohexyl-1-methyl-3-(2-methylpyrazol-3-yl)urea
SMILESCN(C(=O)Nc1ccnn1C)C1CCCCC1
InChIInChI=1S/C12H20N4O/c1-15(10-6-4-3-5-7-10)12(17)14-11-8-9-13-16(11)2/h8-10H,3-7H2,1-2H3,(H,14,17)
InChIKeyJMYSZQDECXTOJQ-UHFFFAOYSA-N
XLogP2.22
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-methyl-3-(2-methylpyrazol-3-yl)urea?
The IUPAC name of 1-cyclohexyl-1-methyl-3-(2-methylpyrazol-3-yl)urea (CID 108813610) is 1-cyclohexyl-1-methyl-3-(2-methylpyrazol-3-yl)urea.
What is the SMILES notation for 1-cyclohexyl-1-methyl-3-(2-methylpyrazol-3-yl)urea?
The canonical SMILES for 1-cyclohexyl-1-methyl-3-(2-methylpyrazol-3-yl)urea is CN(C(=O)Nc1ccnn1C)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-methyl-3-(2-methylpyrazol-3-yl)urea?
The InChIKey is JMYSZQDECXTOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-15(10-6-4-3-5-7-10)12(17)14-11-8-9-13-16(11)2/h8-10H,3-7H2,1-2H3,(H,14,17).
What are the key properties of 1-cyclohexyl-1-methyl-3-(2-methylpyrazol-3-yl)urea?
1-cyclohexyl-1-methyl-3-(2-methylpyrazol-3-yl)urea has a molecular weight of 236.32 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-methyl-3-(2-methylpyrazol-3-yl)urea is sourced from PubChem (CID 108813610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).