1-cyclohexyl-3-[(1,3-dimethylpyrazol-4-yl)methyl]urea

C13H22N4O — CID 841979

IUPAC1-cyclohexyl-3-[(1,3-dimethylpyrazol-4-yl)methyl]urea
SMILESCc1nn(C)cc1CNC(=O)NC1CCCCC1
InChIInChI=1S/C13H22N4O/c1-10-11(9-17(2)16-10)8-14-13(18)15-12-6-4-3-5-7-12/h9,12H,3-8H2,1-2H3,(H2,14,15,18)
InChIKeyRFKGGDLEMMUAHC-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.86
Rot. Bonds3

About 1-cyclohexyl-3-[(1,3-dimethylpyrazol-4-yl)methyl]urea

1-cyclohexyl-3-[(1,3-dimethylpyrazol-4-yl)methyl]urea (PubChem CID 841979) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(1,3-dimethylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(1,3-dimethylpyrazol-4-yl)methyl]urea
PubChem CID841979
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-cyclohexyl-3-[(1,3-dimethylpyrazol-4-yl)methyl]urea
SMILESCc1nn(C)cc1CNC(=O)NC1CCCCC1
InChIInChI=1S/C13H22N4O/c1-10-11(9-17(2)16-10)8-14-13(18)15-12-6-4-3-5-7-12/h9,12H,3-8H2,1-2H3,(H2,14,15,18)
InChIKeyRFKGGDLEMMUAHC-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-1-adamantyl-N'-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]urea
CID 2930834
1-(1-Adamantyl)-3-[(1,3-dimethylpyrazol-4-yl)methyl]urea
CID 2931972
1-Cyclohexyl-3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]urea
CID 831712
N-butyl-N'-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]urea
CID 4121012
1-Cyclohexyl-3-[(2-ethylpyrazol-3-yl)methyl]urea
CID 17270110
4-cyclopentyl-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]piperazine-1-carboxamide
CID 53499020
N-Cyclohexyl-N'-[(1-methyl-1H-pyrazol-4-YL)methyl]urea
CID 2932925
N-[2-(1,5-Dimethylpyrazol-4-YL)ethyl]-3,5-dimethylazepane-1-carboxamide
CID 71910881
1-(4-Methylhexan-2-yl)-3-[(1-propan-2-ylpyrazol-3-yl)methyl]urea
CID 71989904
N~2~-[(dimethylamino)carbonyl]-N~1~-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]glycinamide
CID 86285523
1-(2-Methylprop-2-enyl)-3-[2-(1-methylpyrazol-4-yl)ethyl]urea
CID 91661487
1-[(3-Ethyl-1-methylpyrazol-4-yl)methyl]-3-(2-methylprop-2-enyl)urea
CID 91661490

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(1,3-dimethylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-cyclohexyl-3-[(1,3-dimethylpyrazol-4-yl)methyl]urea (CID 841979) is 1-cyclohexyl-3-[(1,3-dimethylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(1,3-dimethylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(1,3-dimethylpyrazol-4-yl)methyl]urea is Cc1nn(C)cc1CNC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[(1,3-dimethylpyrazol-4-yl)methyl]urea?
The InChIKey is RFKGGDLEMMUAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10-11(9-17(2)16-10)8-14-13(18)15-12-6-4-3-5-7-12/h9,12H,3-8H2,1-2H3,(H2,14,15,18).
What are the key properties of 1-cyclohexyl-3-[(1,3-dimethylpyrazol-4-yl)methyl]urea?
1-cyclohexyl-3-[(1,3-dimethylpyrazol-4-yl)methyl]urea has a molecular weight of 250.35 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(1,3-dimethylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 841979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).