1-(4,4-dimethylcyclohexyl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea

C15H26N4O2 — CID 71992405

IUPAC1-(4,4-dimethylcyclohexyl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea
SMILESCOCCn1ccc(NC(=O)NC2CCC(C)(C)CC2)n1
InChIInChI=1S/C15H26N4O2/c1-15(2)7-4-12(5-8-15)16-14(20)17-13-6-9-19(18-13)10-11-21-3/h6,9,12H,4-5,7-8,10-11H2,1-3H3,(H2,16,17,18,20)
InChIKeyODBVKWBNBRFUDA-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.62
Rot. Bonds5

About 1-(4,4-dimethylcyclohexyl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea

1-(4,4-dimethylcyclohexyl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea (PubChem CID 71992405) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexyl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexyl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea
PubChem CID71992405
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name1-(4,4-dimethylcyclohexyl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea
SMILESCOCCn1ccc(NC(=O)NC2CCC(C)(C)CC2)n1
InChIInChI=1S/C15H26N4O2/c1-15(2)7-4-12(5-8-15)16-14(20)17-13-6-9-19(18-13)10-11-21-3/h6,9,12H,4-5,7-8,10-11H2,1-3H3,(H2,16,17,18,20)
InChIKeyODBVKWBNBRFUDA-UHFFFAOYSA-N
XLogP2.62
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Butyl-3-(2-cyclohexylpyrazol-3-yl)urea
CID 2103165
1-[[1-(2-Ethoxyethyl)cyclopentyl]methyl]-3-(1-methylpyrazol-3-yl)urea
CID 71850192
1-[(2R)-2-(dimethylamino)-3-ethylpentyl]-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea
CID 95634964
1-[2-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrazol-3-yl]-3-(2-ethoxyethyl)urea
CID 97436203
1-(2-butylpyrazol-3-yl)-3-[(1S)-1-(oxan-4-yl)ethyl]urea
CID 99707593
1-(1-Cyclohexylpyrazol-3-yl)-3-(3-methoxypropyl)urea
CID 100679728
1-(3-Ethoxyspiro[3.5]nonan-1-yl)-1-methyl-3-(1-methylpyrazol-3-yl)urea
CID 102559032
N-(1-cyclohexylpyrazol-3-yl)morpholine-4-carboxamide
CID 121588072
1-Hex-5-en-3-yl-3-[1-(1-methoxypropan-2-yl)pyrazol-3-yl]urea
CID 121588284
4,4-diethyl-N-(1-propan-2-ylpyrazol-3-yl)azepane-1-carboxamide
CID 132384393
1-(1,4-Dimethylcyclohexyl)-3-(1-propan-2-ylpyrazol-3-yl)urea
CID 136539463
(3R)-N-(1-cyclohexylpyrazol-3-yl)-3-propan-2-yloxypyrrolidine-1-carboxamide
CID 138001530

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexyl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea?
The IUPAC name of 1-(4,4-dimethylcyclohexyl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea (CID 71992405) is 1-(4,4-dimethylcyclohexyl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea.
What is the SMILES notation for 1-(4,4-dimethylcyclohexyl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea?
The canonical SMILES for 1-(4,4-dimethylcyclohexyl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea is COCCn1ccc(NC(=O)NC2CCC(C)(C)CC2)n1.
What is the InChIKey of 1-(4,4-dimethylcyclohexyl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea?
The InChIKey is ODBVKWBNBRFUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-15(2)7-4-12(5-8-15)16-14(20)17-13-6-9-19(18-13)10-11-21-3/h6,9,12H,4-5,7-8,10-11H2,1-3H3,(H2,16,17,18,20).
What are the key properties of 1-(4,4-dimethylcyclohexyl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea?
1-(4,4-dimethylcyclohexyl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea has a molecular weight of 294.40 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcyclohexyl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea is sourced from PubChem (CID 71992405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).