1-(2,5-dimethylpyrazol-3-yl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea

C15H20N4O2 — CID 51080201

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
SMILESCc1ccc(C(O)CNC(=O)Nc2cc(C)nn2C)cc1
InChIInChI=1S/C15H20N4O2/c1-10-4-6-12(7-5-10)13(20)9-16-15(21)17-14-8-11(2)18-19(14)3/h4-8,13,20H,9H2,1-3H3,(H2,16,17,21)
InChIKeyQPGRFQOQOHPTHP-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.89
Rot. Bonds4

About 1-(2,5-dimethylpyrazol-3-yl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea

1-(2,5-dimethylpyrazol-3-yl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea (PubChem CID 51080201) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
PubChem CID51080201
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
SMILESCc1ccc(C(O)CNC(=O)Nc2cc(C)nn2C)cc1
InChIInChI=1S/C15H20N4O2/c1-10-4-6-12(7-5-10)13(20)9-16-15(21)17-14-8-11(2)18-19(14)3/h4-8,13,20H,9H2,1-3H3,(H2,16,17,21)
InChIKeyQPGRFQOQOHPTHP-UHFFFAOYSA-N
XLogP1.89
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-Hydroxy-2-phenylethyl)pyrazol-3-yl]-3-propan-2-ylurea
CID 16747859
1-[4-Cyano-1-(2-hydroxy-2-phenylethyl)pyrazol-5-yl]-3-phenylurea
CID 16747980
1-[4-Cyano-1-(2-hydroxy-2-phenylethyl)pyrazol-5-yl]-3-propan-2-ylurea
CID 16749344
US10323022, Example 165
CID 118128399
1-[3-Tert-butyl-1-(2-hydroxy-2-phenylethyl)pyrazol-5-yl]-3-(2-fluorophenyl)urea
CID 137637081
1-[3-Tert-butyl-1-(2-hydroxy-2-phenylethyl)pyrazol-5-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 137641438
1-[3-Tert-butyl-1-(2-hydroxy-2-phenylethyl)pyrazol-5-yl]-3-(3-fluorophenyl)urea
CID 137645323
US9763922, Example 130
CID 121372855
US10351575, Example 126
CID 124114921
1-(2,5-Dimethylpyrazol-3-yl)-3-[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea
CID 45821183
1-[2-(3,4-Difluorophenyl)-2-hydroxyethyl]-3-(2,5-dimethylpyrazol-3-yl)urea
CID 45821208
1-[1-(2-Hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-methylurea
CID 47090471

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea (CID 51080201) is 1-(2,5-dimethylpyrazol-3-yl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea is Cc1ccc(C(O)CNC(=O)Nc2cc(C)nn2C)cc1.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea?
The InChIKey is QPGRFQOQOHPTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10-4-6-12(7-5-10)13(20)9-16-15(21)17-14-8-11(2)18-19(14)3/h4-8,13,20H,9H2,1-3H3,(H2,16,17,21).
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea?
1-(2,5-dimethylpyrazol-3-yl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea has a molecular weight of 288.35 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea is sourced from PubChem (CID 51080201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).