1-(1-cyclohexylethyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea

C16H28N4O2 — CID 111481813

IUPAC1-(1-cyclohexylethyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
SMILESCC(NC(=O)NCC(C)(O)c1cnn(C)c1)C1CCCCC1
InChIInChI=1S/C16H28N4O2/c1-12(13-7-5-4-6-8-13)19-15(21)17-11-16(2,22)14-9-18-20(3)10-14/h9-10,12-13,22H,4-8,11H2,1-3H3,(H2,17,19,21)
InChIKeyUYXXVABJRKHCRZ-UHFFFAOYSA-N
MW308.43 g/mol
LogP1.90
Rot. Bonds5

About 1-(1-cyclohexylethyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea

1-(1-cyclohexylethyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea (PubChem CID 111481813) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-(1-cyclohexylethyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea.

Molecular Properties

Compound Name1-(1-cyclohexylethyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
PubChem CID111481813
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name1-(1-cyclohexylethyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
SMILESCC(NC(=O)NCC(C)(O)c1cnn(C)c1)C1CCCCC1
InChIInChI=1S/C16H28N4O2/c1-12(13-7-5-4-6-8-13)19-15(21)17-11-16(2,22)14-9-18-20(3)10-14/h9-10,12-13,22H,4-8,11H2,1-3H3,(H2,17,19,21)
InChIKeyUYXXVABJRKHCRZ-UHFFFAOYSA-N
XLogP1.90
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(dicyclopentylmethyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111458111
1-[cyclopropyl(phenyl)methyl]-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 111457983
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
CID 111482946
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(2,2,4-trimethylpentyl)urea
CID 111927147
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 111458023
1-(2,6-dimethylcyclohexyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 71972715
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-[(1-propan-2-ylpiperidin-3-yl)methyl]urea
CID 111459095
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
2-(1-methylpyrazol-4-yl)-1-(propan-2-ylamino)propan-2-ol
CID 66039398
3-(1-cyclohexylethylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid
CID 66175537

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylethyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea?
The IUPAC name of 1-(1-cyclohexylethyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea (CID 111481813) is 1-(1-cyclohexylethyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea.
What is the SMILES notation for 1-(1-cyclohexylethyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea?
The canonical SMILES for 1-(1-cyclohexylethyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea is CC(NC(=O)NCC(C)(O)c1cnn(C)c1)C1CCCCC1.
What is the InChIKey of 1-(1-cyclohexylethyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea?
The InChIKey is UYXXVABJRKHCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-12(13-7-5-4-6-8-13)19-15(21)17-11-16(2,22)14-9-18-20(3)10-14/h9-10,12-13,22H,4-8,11H2,1-3H3,(H2,17,19,21).
What are the key properties of 1-(1-cyclohexylethyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea?
1-(1-cyclohexylethyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea has a molecular weight of 308.43 g/mol, XLogP of 1.90, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylethyl)-3-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea is sourced from PubChem (CID 111481813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).