1-(2,2-dimethylcyclohexyl)-3-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]urea

C18H32N4O2 — CID 71854107

IUPAC1-(2,2-dimethylcyclohexyl)-3-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]urea
SMILESCOCCn1nc(C)c(CNC(=O)NC2CCCCC2(C)C)c1C
InChIInChI=1S/C18H32N4O2/c1-13-15(14(2)22(21-13)10-11-24-5)12-19-17(23)20-16-8-6-7-9-18(16,3)4/h16H,6-12H2,1-5H3,(H2,19,20,23)
InChIKeyFQHBQBIPVKVQAU-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.91
Rot. Bonds6

About 1-(2,2-dimethylcyclohexyl)-3-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]urea

1-(2,2-dimethylcyclohexyl)-3-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]urea (PubChem CID 71854107) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclohexyl)-3-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]urea.

Molecular Properties

Compound Name1-(2,2-dimethylcyclohexyl)-3-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]urea
PubChem CID71854107
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Name1-(2,2-dimethylcyclohexyl)-3-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]urea
SMILESCOCCn1nc(C)c(CNC(=O)NC2CCCCC2(C)C)c1C
InChIInChI=1S/C18H32N4O2/c1-13-15(14(2)22(21-13)10-11-24-5)12-19-17(23)20-16-8-6-7-9-18(16,3)4/h16H,6-12H2,1-5H3,(H2,19,20,23)
InChIKeyFQHBQBIPVKVQAU-UHFFFAOYSA-N
XLogP2.91
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclohexyl)-3-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]urea?
The IUPAC name of 1-(2,2-dimethylcyclohexyl)-3-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]urea (CID 71854107) is 1-(2,2-dimethylcyclohexyl)-3-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]urea.
What is the SMILES notation for 1-(2,2-dimethylcyclohexyl)-3-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]urea?
The canonical SMILES for 1-(2,2-dimethylcyclohexyl)-3-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]urea is COCCn1nc(C)c(CNC(=O)NC2CCCCC2(C)C)c1C.
What is the InChIKey of 1-(2,2-dimethylcyclohexyl)-3-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]urea?
The InChIKey is FQHBQBIPVKVQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-13-15(14(2)22(21-13)10-11-24-5)12-19-17(23)20-16-8-6-7-9-18(16,3)4/h16H,6-12H2,1-5H3,(H2,19,20,23).
What are the key properties of 1-(2,2-dimethylcyclohexyl)-3-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]urea?
1-(2,2-dimethylcyclohexyl)-3-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]urea has a molecular weight of 336.48 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclohexyl)-3-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]urea is sourced from PubChem (CID 71854107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).