1-[(2R)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3-(2-pyrazol-1-ylethyl)urea

C16H22N4O2 — CID 124855579

IUPAC1-[(2R)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3-(2-pyrazol-1-ylethyl)urea
SMILESCc1cc(C)cc([C@@H](O)CNC(=O)NCCn2cccn2)c1
InChIInChI=1S/C16H22N4O2/c1-12-8-13(2)10-14(9-12)15(21)11-18-16(22)17-5-7-20-6-3-4-19-20/h3-4,6,8-10,15,21H,5,7,11H2,1-2H3,(H2,17,18,22)/t15-/m0/s1
InChIKeyZHSMKXRAISDRAJ-HNNXBMFYSA-N
MW302.38 g/mol
LogP1.53
Rot. Bonds6

About 1-[(2R)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3-(2-pyrazol-1-ylethyl)urea

1-[(2R)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3-(2-pyrazol-1-ylethyl)urea (PubChem CID 124855579) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-[(2R)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3-(2-pyrazol-1-ylethyl)urea.

Molecular Properties

Compound Name1-[(2R)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3-(2-pyrazol-1-ylethyl)urea
PubChem CID124855579
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name1-[(2R)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3-(2-pyrazol-1-ylethyl)urea
SMILESCc1cc(C)cc([C@@H](O)CNC(=O)NCCn2cccn2)c1
InChIInChI=1S/C16H22N4O2/c1-12-8-13(2)10-14(9-12)15(21)11-18-16(22)17-5-7-20-6-3-4-19-20/h3-4,6,8-10,15,21H,5,7,11H2,1-2H3,(H2,17,18,22)/t15-/m0/s1
InChIKeyZHSMKXRAISDRAJ-HNNXBMFYSA-N
XLogP1.53
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-(2-pyrazol-1-ylethyl)benzamide
CID 39854489
1-methyl-3-(2-pyrazol-1-ylethyl)urea
CID 23548396
2-(2-pyrazol-1-ylethylcarbamoylamino)acetic acid
CID 61461230
1-(2-hydroxypentyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 111337992
1-(3,4-dimethylphenyl)-2-(2-pyrazol-1-ylethylamino)ethanol
CID 56780909
2-(3-aminophenyl)-N-(2-pyrazol-1-ylethyl)propanamide
CID 106591217
2-hydroxy-3-(3-pyrazol-1-ylpropylcarbamoylamino)propanoic acid
CID 113413056
2,2-diphenyl-N-(2-pyrazol-1-ylethyl)acetamide
CID 110716549
1-(4-methylphenyl)sulfonyl-3-(2-pyrazol-1-ylethyl)urea
CID 110747701
1-[(2S)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3-[(1S)-1-pyridin-4-ylpropyl]urea
CID 124731247
2-[2-(3,5-dimethylphenyl)ethyl]-1-ethyl-3-(2-pyrazol-1-ylethyl)guanidine
CID 111649132
1-phenyl-3-(2-pyrazol-1-ylethyl)urea
CID 110747699

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3-(2-pyrazol-1-ylethyl)urea?
The IUPAC name of 1-[(2R)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3-(2-pyrazol-1-ylethyl)urea (CID 124855579) is 1-[(2R)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3-(2-pyrazol-1-ylethyl)urea.
What is the SMILES notation for 1-[(2R)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3-(2-pyrazol-1-ylethyl)urea?
The canonical SMILES for 1-[(2R)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3-(2-pyrazol-1-ylethyl)urea is Cc1cc(C)cc([C@@H](O)CNC(=O)NCCn2cccn2)c1.
What is the InChIKey of 1-[(2R)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3-(2-pyrazol-1-ylethyl)urea?
The InChIKey is ZHSMKXRAISDRAJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-12-8-13(2)10-14(9-12)15(21)11-18-16(22)17-5-7-20-6-3-4-19-20/h3-4,6,8-10,15,21H,5,7,11H2,1-2H3,(H2,17,18,22)/t15-/m0/s1.
What are the key properties of 1-[(2R)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3-(2-pyrazol-1-ylethyl)urea?
1-[(2R)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3-(2-pyrazol-1-ylethyl)urea has a molecular weight of 302.38 g/mol, XLogP of 1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3-(2-pyrazol-1-ylethyl)urea is sourced from PubChem (CID 124855579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).