1-(2-hydroxycyclohexyl)-3-[(1-methylpyrazol-4-yl)methyl]urea

C12H20N4O2 — CID 110933352

IUPAC1-(2-hydroxycyclohexyl)-3-[(1-methylpyrazol-4-yl)methyl]urea
SMILESCn1cc(CNC(=O)NC2CCCCC2O)cn1
InChIInChI=1S/C12H20N4O2/c1-16-8-9(7-14-16)6-13-12(18)15-10-4-2-3-5-11(10)17/h7-8,10-11,17H,2-6H2,1H3,(H2,13,15,18)
InChIKeyIZBXHMFLSAKXOE-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.52
Rot. Bonds3

About 1-(2-hydroxycyclohexyl)-3-[(1-methylpyrazol-4-yl)methyl]urea

1-(2-hydroxycyclohexyl)-3-[(1-methylpyrazol-4-yl)methyl]urea (PubChem CID 110933352) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-(2-hydroxycyclohexyl)-3-[(1-methylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-hydroxycyclohexyl)-3-[(1-methylpyrazol-4-yl)methyl]urea
PubChem CID110933352
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name1-(2-hydroxycyclohexyl)-3-[(1-methylpyrazol-4-yl)methyl]urea
SMILESCn1cc(CNC(=O)NC2CCCCC2O)cn1
InChIInChI=1S/C12H20N4O2/c1-16-8-9(7-14-16)6-13-12(18)15-10-4-2-3-5-11(10)17/h7-8,10-11,17H,2-6H2,1H3,(H2,13,15,18)
InChIKeyIZBXHMFLSAKXOE-UHFFFAOYSA-N
XLogP0.52
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 2932925
1-[(4-fluorophenyl)methyl]-3-[(1S,2S)-2-hydroxycyclohexyl]urea
CID 94797733
1-[(2S,3S)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 97128571
1-(2-hydroxycyclohexyl)-3-[[4-(4-methylpiperidin-1-yl)phenyl]methyl]urea
CID 111109596
1-(2-hydroxycyclohexyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 110933364
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 109398502
2-[[(1-methylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 64927615
1-(2-hydroxycyclohexyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 110933203
1-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea
CID 100836465
1-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea
CID 94121218
1-[(1S,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 95931426
1-cyclopentyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 43370784

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxycyclohexyl)-3-[(1-methylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-(2-hydroxycyclohexyl)-3-[(1-methylpyrazol-4-yl)methyl]urea (CID 110933352) is 1-(2-hydroxycyclohexyl)-3-[(1-methylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-(2-hydroxycyclohexyl)-3-[(1-methylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-(2-hydroxycyclohexyl)-3-[(1-methylpyrazol-4-yl)methyl]urea is Cn1cc(CNC(=O)NC2CCCCC2O)cn1.
What is the InChIKey of 1-(2-hydroxycyclohexyl)-3-[(1-methylpyrazol-4-yl)methyl]urea?
The InChIKey is IZBXHMFLSAKXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-16-8-9(7-14-16)6-13-12(18)15-10-4-2-3-5-11(10)17/h7-8,10-11,17H,2-6H2,1H3,(H2,13,15,18).
What are the key properties of 1-(2-hydroxycyclohexyl)-3-[(1-methylpyrazol-4-yl)methyl]urea?
1-(2-hydroxycyclohexyl)-3-[(1-methylpyrazol-4-yl)methyl]urea has a molecular weight of 252.32 g/mol, XLogP of 0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxycyclohexyl)-3-[(1-methylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 110933352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).