1-(2,6-dimethylcyclohexyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea

C16H28N4O2 — CID 71972715

IUPAC1-(2,6-dimethylcyclohexyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
SMILESCC1CCCC(C)C1NC(=O)NCC(C)(O)c1cnn(C)c1
InChIInChI=1S/C16H28N4O2/c1-11-6-5-7-12(2)14(11)19-15(21)17-10-16(3,22)13-8-18-20(4)9-13/h8-9,11-12,14,22H,5-7,10H2,1-4H3,(H2,17,19,21)
InChIKeyNGRCOUBCPIKWGJ-UHFFFAOYSA-N
MW308.43 g/mol
LogP1.75
Rot. Bonds4

About 1-(2,6-dimethylcyclohexyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea

1-(2,6-dimethylcyclohexyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea (PubChem CID 71972715) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-(2,6-dimethylcyclohexyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea.

Molecular Properties

Compound Name1-(2,6-dimethylcyclohexyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
PubChem CID71972715
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name1-(2,6-dimethylcyclohexyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
SMILESCC1CCCC(C)C1NC(=O)NCC(C)(O)c1cnn(C)c1
InChIInChI=1S/C16H28N4O2/c1-11-6-5-7-12(2)14(11)19-15(21)17-10-16(3,22)13-8-18-20(4)9-13/h8-9,11-12,14,22H,5-7,10H2,1-4H3,(H2,17,19,21)
InChIKeyNGRCOUBCPIKWGJ-UHFFFAOYSA-N
XLogP1.75
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
CID 111482946
1-(dicyclopentylmethyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111458111
1-(1-cyclohexylethyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111481813
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 111458023
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,2-dimethylpropanamide
CID 111458807
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-prop-2-ynylurea
CID 111457956
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[2-(3-methylpiperidin-1-yl)ethyl]urea
CID 111458030
tert-butyl N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]carbamate
CID 71967740
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(2,2,4-trimethylpentyl)urea
CID 111927147
1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111458062
1-(3,5-dimethylphenyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111458903
1-[(1-ethylpiperidin-3-yl)methyl]-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111459092

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylcyclohexyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea?
The IUPAC name of 1-(2,6-dimethylcyclohexyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea (CID 71972715) is 1-(2,6-dimethylcyclohexyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea.
What is the SMILES notation for 1-(2,6-dimethylcyclohexyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea?
The canonical SMILES for 1-(2,6-dimethylcyclohexyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea is CC1CCCC(C)C1NC(=O)NCC(C)(O)c1cnn(C)c1.
What is the InChIKey of 1-(2,6-dimethylcyclohexyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea?
The InChIKey is NGRCOUBCPIKWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-11-6-5-7-12(2)14(11)19-15(21)17-10-16(3,22)13-8-18-20(4)9-13/h8-9,11-12,14,22H,5-7,10H2,1-4H3,(H2,17,19,21).
What are the key properties of 1-(2,6-dimethylcyclohexyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea?
1-(2,6-dimethylcyclohexyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea has a molecular weight of 308.43 g/mol, XLogP of 1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylcyclohexyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea is sourced from PubChem (CID 71972715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).