1-(2-cyclohexylpyrazol-3-yl)-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea

C19H26N4O2 — CID 111120671

IUPAC1-(2-cyclohexylpyrazol-3-yl)-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea
SMILESCc1ccccc1C(O)CNC(=O)Nc1ccnn1C1CCCCC1
InChIInChI=1S/C19H26N4O2/c1-14-7-5-6-10-16(14)17(24)13-20-19(25)22-18-11-12-21-23(18)15-8-3-2-4-9-15/h5-7,10-12,15,17,24H,2-4,8-9,13H2,1H3,(H2,20,22,25)
InChIKeySTGGHLKRKGTISH-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.55
Rot. Bonds5

About 1-(2-cyclohexylpyrazol-3-yl)-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea

1-(2-cyclohexylpyrazol-3-yl)-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea (PubChem CID 111120671) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-(2-cyclohexylpyrazol-3-yl)-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2-cyclohexylpyrazol-3-yl)-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea
PubChem CID111120671
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-(2-cyclohexylpyrazol-3-yl)-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea
SMILESCc1ccccc1C(O)CNC(=O)Nc1ccnn1C1CCCCC1
InChIInChI=1S/C19H26N4O2/c1-14-7-5-6-10-16(14)17(24)13-20-19(25)22-18-11-12-21-23(18)15-8-3-2-4-9-15/h5-7,10-12,15,17,24H,2-4,8-9,13H2,1H3,(H2,20,22,25)
InChIKeySTGGHLKRKGTISH-UHFFFAOYSA-N
XLogP3.55
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyclohexylpyrazol-3-yl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110896237
N-(2-cyclopentylpyrazol-3-yl)-2-methylbenzamide
CID 78793945
1-(2-cyclohexylpyrazol-3-yl)-3-[(2S,4S)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 97086737
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
CID 111482945
N-(2-cyclohexylpyrazol-3-yl)benzamide
CID 51145839
ethyl N-(2-cyclopentylpyrazol-3-yl)carbamate
CID 110470599
1-cyclopentyl-N-[2-hydroxy-2-(2-methylphenyl)ethyl]pyrrole-2-carboxamide
CID 110007652
N-(2-cyclohexylpyrazol-3-yl)-3-methylbenzamide
CID 51145870
1-(2-cyclohexylpyrazol-3-yl)-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 111424885
N-(2-cyclopentylpyrazol-3-yl)-4-(2-methylphenoxy)butanamide
CID 134022496
2-(benzhydrylamino)-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 8596124
1-(2-cyclopentylpyrazol-3-yl)-3-[(4-propan-2-ylthiadiazol-5-yl)methyl]urea
CID 118777990

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylpyrazol-3-yl)-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea?
The IUPAC name of 1-(2-cyclohexylpyrazol-3-yl)-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea (CID 111120671) is 1-(2-cyclohexylpyrazol-3-yl)-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-(2-cyclohexylpyrazol-3-yl)-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea?
The canonical SMILES for 1-(2-cyclohexylpyrazol-3-yl)-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea is Cc1ccccc1C(O)CNC(=O)Nc1ccnn1C1CCCCC1.
What is the InChIKey of 1-(2-cyclohexylpyrazol-3-yl)-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea?
The InChIKey is STGGHLKRKGTISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14-7-5-6-10-16(14)17(24)13-20-19(25)22-18-11-12-21-23(18)15-8-3-2-4-9-15/h5-7,10-12,15,17,24H,2-4,8-9,13H2,1H3,(H2,20,22,25).
What are the key properties of 1-(2-cyclohexylpyrazol-3-yl)-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea?
1-(2-cyclohexylpyrazol-3-yl)-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea has a molecular weight of 342.44 g/mol, XLogP of 3.55, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylpyrazol-3-yl)-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea is sourced from PubChem (CID 111120671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).