1-cyclohexyl-3-(2-propan-2-ylpyrazol-3-yl)urea

C13H22N4O — CID 47103204

IUPAC1-cyclohexyl-3-(2-propan-2-ylpyrazol-3-yl)urea
SMILESCC(C)n1nccc1NC(=O)NC1CCCCC1
InChIInChI=1S/C13H22N4O/c1-10(2)17-12(8-9-14-17)16-13(18)15-11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H2,15,16,18)
InChIKeyUJDAZUSZVXDMBK-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.92
Rot. Bonds3

About 1-cyclohexyl-3-(2-propan-2-ylpyrazol-3-yl)urea

1-cyclohexyl-3-(2-propan-2-ylpyrazol-3-yl)urea (PubChem CID 47103204) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2-propan-2-ylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2-propan-2-ylpyrazol-3-yl)urea
PubChem CID47103204
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-cyclohexyl-3-(2-propan-2-ylpyrazol-3-yl)urea
SMILESCC(C)n1nccc1NC(=O)NC1CCCCC1
InChIInChI=1S/C13H22N4O/c1-10(2)17-12(8-9-14-17)16-13(18)15-11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H2,15,16,18)
InChIKeyUJDAZUSZVXDMBK-UHFFFAOYSA-N
XLogP2.92
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-(2-propan-2-ylpyrazol-3-yl)urea
CID 47198802
2-(azepan-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 42913354
2-(cyclopropylamino)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 60687383
1-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-3-(1-propylpiperidin-4-yl)urea
CID 97248271
1-[(2S,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(2-propan-2-ylpyrazol-3-yl)urea
CID 97122784
4-(cyclohexylcarbamoylamino)-N-[2-(2-methylpropyl)pyrazol-3-yl]butanamide
CID 35447449
2-amino-N-(2-propan-2-ylpyrazol-3-yl)cyclopentane-1-carboxamide
CID 64817560
2-piperidin-1-yl-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 18155912
methyl N-(2-propan-2-ylpyrazol-3-yl)carbamate
CID 115619372
3-cyclopentylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 47048221
1-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
CID 124619687
1-cyclopentyl-5-oxo-N-(2-propan-2-ylpyrazol-3-yl)pyrrolidine-3-carboxamide
CID 42916133

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2-propan-2-ylpyrazol-3-yl)urea?
The IUPAC name of 1-cyclohexyl-3-(2-propan-2-ylpyrazol-3-yl)urea (CID 47103204) is 1-cyclohexyl-3-(2-propan-2-ylpyrazol-3-yl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(2-propan-2-ylpyrazol-3-yl)urea?
The canonical SMILES for 1-cyclohexyl-3-(2-propan-2-ylpyrazol-3-yl)urea is CC(C)n1nccc1NC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2-propan-2-ylpyrazol-3-yl)urea?
The InChIKey is UJDAZUSZVXDMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10(2)17-12(8-9-14-17)16-13(18)15-11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-cyclohexyl-3-(2-propan-2-ylpyrazol-3-yl)urea?
1-cyclohexyl-3-(2-propan-2-ylpyrazol-3-yl)urea has a molecular weight of 250.35 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2-propan-2-ylpyrazol-3-yl)urea is sourced from PubChem (CID 47103204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).