1-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-methylurea

C14H18N4O2 — CID 47090471

IUPAC1-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-methylurea
SMILESCNC(=O)Nc1cc(-c2ccccc2C)nn1CCO
InChIInChI=1S/C14H18N4O2/c1-10-5-3-4-6-11(10)12-9-13(16-14(20)15-2)18(17-12)7-8-19/h3-6,9,19H,7-8H2,1-2H3,(H2,15,16,20)
InChIKeyGOKPQBMHZOEGNH-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.60
Rot. Bonds4

About 1-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-methylurea

1-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-methylurea (PubChem CID 47090471) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-methylurea.

Molecular Properties

Compound Name1-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-methylurea
PubChem CID47090471
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name1-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-methylurea
SMILESCNC(=O)Nc1cc(-c2ccccc2C)nn1CCO
InChIInChI=1S/C14H18N4O2/c1-10-5-3-4-6-11(10)12-9-13(16-14(20)15-2)18(17-12)7-8-19/h3-6,9,19H,7-8H2,1-2H3,(H2,15,16,20)
InChIKeyGOKPQBMHZOEGNH-UHFFFAOYSA-N
XLogP1.60
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-amino-3-phenyl-1H-pyrazol-1-yl)ethan-1-ol
CID 2119463
N-{4-[3-amino-1-(2-hydroxyethyl)-1H-indazol-4-yl]phenyl}-N''-(3-methylphenyl)urea
CID 11452379
1-[1-(2-hydroxyethyl)-3-(3-methylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121372880
1-(3-Tert-butyl-1-phenylpyrazol-5-yl)-3-(2-phenylethyl)urea
CID 10948445
1-(4-Butylphenyl)-3-(2,5-dimethylpyrazol-3-yl)urea
CID 2811728
N-(2-methylphenyl)-N'-(1-methyl-3-phenyl-1H-pyrazol-5-yl)urea
CID 2815490
US10323022, Example 93
CID 71041072
US10323022, Example 104
CID 71041213
US10323022, Example 115
CID 71041221
US10323022, Example 102
CID 71041223
US10323022, Example 103
CID 71041233
US10323022, Example 114
CID 71041237

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-methylurea?
The IUPAC name of 1-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-methylurea (CID 47090471) is 1-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-methylurea.
What is the SMILES notation for 1-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-methylurea?
The canonical SMILES for 1-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-methylurea is CNC(=O)Nc1cc(-c2ccccc2C)nn1CCO.
What is the InChIKey of 1-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-methylurea?
The InChIKey is GOKPQBMHZOEGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10-5-3-4-6-11(10)12-9-13(16-14(20)15-2)18(17-12)7-8-19/h3-6,9,19H,7-8H2,1-2H3,(H2,15,16,20).
What are the key properties of 1-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-methylurea?
1-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-methylurea has a molecular weight of 274.32 g/mol, XLogP of 1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-methylurea is sourced from PubChem (CID 47090471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).