1-(4-hydroxy-2-methylphenyl)-3-(2-methylpyrazol-3-yl)urea

C12H14N4O2 — CID 86805722

IUPAC1-(4-hydroxy-2-methylphenyl)-3-(2-methylpyrazol-3-yl)urea
SMILESCc1cc(O)ccc1NC(=O)Nc1ccnn1C
InChIInChI=1S/C12H14N4O2/c1-8-7-9(17)3-4-10(8)14-12(18)15-11-5-6-13-16(11)2/h3-7,17H,1-2H3,(H2,14,15,18)
InChIKeySHDFRHIAPRHDJM-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.08
Rot. Bonds2

About 1-(4-hydroxy-2-methylphenyl)-3-(2-methylpyrazol-3-yl)urea

1-(4-hydroxy-2-methylphenyl)-3-(2-methylpyrazol-3-yl)urea (PubChem CID 86805722) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-(4-hydroxy-2-methylphenyl)-3-(2-methylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(4-hydroxy-2-methylphenyl)-3-(2-methylpyrazol-3-yl)urea
PubChem CID86805722
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name1-(4-hydroxy-2-methylphenyl)-3-(2-methylpyrazol-3-yl)urea
SMILESCc1cc(O)ccc1NC(=O)Nc1ccnn1C
InChIInChI=1S/C12H14N4O2/c1-8-7-9(17)3-4-10(8)14-12(18)15-11-5-6-13-16(11)2/h3-7,17H,1-2H3,(H2,14,15,18)
InChIKeySHDFRHIAPRHDJM-UHFFFAOYSA-N
XLogP2.08
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dimethylphenyl)-3-(2-methylpyrazol-3-yl)urea
CID 108813668
4-hydrazinyl-3-methyl-N-(2-methylpyrazol-3-yl)benzamide
CID 63211576
4-hydroxy-3-methyl-N-(2-methylpyrazol-3-yl)benzamide
CID 103956818
1-(4-ethylphenyl)-3-(2-methylpyrazol-3-yl)urea
CID 108813713
3-methyl-N-(2-methylpyrazol-3-yl)-4-(propylamino)benzamide
CID 63214108
1-(2-methylpyrazol-3-yl)-3-pyridin-3-ylurea
CID 108813744
1-[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-3-(4-hydroxy-2-methylphenyl)urea
CID 122150700
1-(2-fluoroethyl)-3-(2-methylpyrazol-3-yl)urea
CID 130637088
2-methyl-N-(2-methylpyrazol-3-yl)benzamide
CID 66675219
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(2-methylpyrazol-3-yl)propanamide
CID 104905050
1-(4-hydroxy-2-methylphenyl)-3-[2-(morpholin-4-ylmethyl)phenyl]urea
CID 122150685
N-(4-hydroxy-2-methylphenyl)-1-methyltriazole-4-carboxamide
CID 136716967

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-methylphenyl)-3-(2-methylpyrazol-3-yl)urea?
The IUPAC name of 1-(4-hydroxy-2-methylphenyl)-3-(2-methylpyrazol-3-yl)urea (CID 86805722) is 1-(4-hydroxy-2-methylphenyl)-3-(2-methylpyrazol-3-yl)urea.
What is the SMILES notation for 1-(4-hydroxy-2-methylphenyl)-3-(2-methylpyrazol-3-yl)urea?
The canonical SMILES for 1-(4-hydroxy-2-methylphenyl)-3-(2-methylpyrazol-3-yl)urea is Cc1cc(O)ccc1NC(=O)Nc1ccnn1C.
What is the InChIKey of 1-(4-hydroxy-2-methylphenyl)-3-(2-methylpyrazol-3-yl)urea?
The InChIKey is SHDFRHIAPRHDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-8-7-9(17)3-4-10(8)14-12(18)15-11-5-6-13-16(11)2/h3-7,17H,1-2H3,(H2,14,15,18).
What are the key properties of 1-(4-hydroxy-2-methylphenyl)-3-(2-methylpyrazol-3-yl)urea?
1-(4-hydroxy-2-methylphenyl)-3-(2-methylpyrazol-3-yl)urea has a molecular weight of 246.27 g/mol, XLogP of 2.08, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2-methylphenyl)-3-(2-methylpyrazol-3-yl)urea is sourced from PubChem (CID 86805722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).