1-cyclohexyl-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea

C13H22N4O — CID 35276366

IUPAC1-cyclohexyl-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea
SMILESC[C@@H](NC(=O)NC1CCCCC1)c1cnn(C)c1
InChIInChI=1S/C13H22N4O/c1-10(11-8-14-17(2)9-11)15-13(18)16-12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3,(H2,15,16,18)/t10-/m1/s1
InChIKeyAPOOTIMBDHIVPT-SNVBAGLBSA-N
MW250.35 g/mol
LogP2.11
Rot. Bonds3

About 1-cyclohexyl-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea

1-cyclohexyl-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea (PubChem CID 35276366) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea
PubChem CID35276366
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-cyclohexyl-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea
SMILESC[C@@H](NC(=O)NC1CCCCC1)c1cnn(C)c1
InChIInChI=1S/C13H22N4O/c1-10(11-8-14-17(2)9-11)15-13(18)16-12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3,(H2,15,16,18)/t10-/m1/s1
InChIKeyAPOOTIMBDHIVPT-SNVBAGLBSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylcyclohexyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 71868289
1-[2-(hydroxymethyl)cyclohexyl]-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 111631153
1-[(2S,3S)-2-(2-methylpropyl)oxan-3-yl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 129471752
1-cyclohexyl-3-[(1R)-1-phenylethyl]urea
CID 840473
1-cyclohexyl-3-[(1R)-1-(4-methylphenyl)ethyl]urea
CID 94192175
1-[(1S)-1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 95960904
1-cyclopentyl-3-[1-(4-methylphenyl)ethyl]urea
CID 47322191
1-cyclobutyl-3-[(1S)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]urea
CID 125443355
1-(2,3-dihydro-1-benzothiophen-3-yl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 122143288
1-cyclohexyl-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 2932925
1-cyclohexyl-3-[(1S)-1-(4-piperidin-1-ylphenyl)ethyl]urea
CID 100744989
(2S,3R)-3-hydroxy-2-[1-(1-methylpyrazol-4-yl)ethylcarbamoylamino]butanoic acid
CID 114286382

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea (CID 35276366) is 1-cyclohexyl-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea is C[C@@H](NC(=O)NC1CCCCC1)c1cnn(C)c1.
What is the InChIKey of 1-cyclohexyl-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea?
The InChIKey is APOOTIMBDHIVPT-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10(11-8-14-17(2)9-11)15-13(18)16-12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3,(H2,15,16,18)/t10-/m1/s1.
What are the key properties of 1-cyclohexyl-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea?
1-cyclohexyl-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea has a molecular weight of 250.35 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 35276366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).