1-(4-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea

C14H18N4O — CID 4885076

IUPAC1-(4-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea
SMILESCc1ccc(NC(=O)Nc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C14H18N4O/c1-9-5-7-12(8-6-9)15-14(19)16-13-10(2)17-18(4)11(13)3/h5-8H,1-4H3,(H2,15,16,19)
InChIKeyVFKKOGXPNNRRKW-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.99
Rot. Bonds2

About 1-(4-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea

1-(4-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea (PubChem CID 4885076) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea
PubChem CID4885076
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1-(4-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea
SMILESCc1ccc(NC(=O)Nc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C14H18N4O/c1-9-5-7-12(8-6-9)15-14(19)16-13-10(2)17-18(4)11(13)3/h5-8H,1-4H3,(H2,15,16,19)
InChIKeyVFKKOGXPNNRRKW-UHFFFAOYSA-N
XLogP2.99
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide
CID 78989575
[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 4-(phenylcarbamoylamino)benzoate
CID 55568055
1-[2-(trifluoromethyl)phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea
CID 35283624
1-[2-(4,5-dimethylimidazol-1-yl)pyrimidin-5-yl]-3-(4-methylphenyl)urea
CID 121112815
1-(1-methylbenzotriazol-5-yl)-3-(4-methylphenyl)urea
CID 894194
1-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-3-(3,5-dimethylphenyl)urea
CID 17374877
N-(4-acetamidophenyl)-2-[ethyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]acetamide
CID 8791575
1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea
CID 54178073
N-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-carboxamide
CID 35283696
2-(3,5-dimethylanilino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86908709
[1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-(4-methylphenyl)acetate
CID 55404638
[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 2-(4-methylphenyl)acetate
CID 8972382

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea?
The IUPAC name of 1-(4-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea (CID 4885076) is 1-(4-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea?
The canonical SMILES for 1-(4-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea is Cc1ccc(NC(=O)Nc2c(C)nn(C)c2C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea?
The InChIKey is VFKKOGXPNNRRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9-5-7-12(8-6-9)15-14(19)16-13-10(2)17-18(4)11(13)3/h5-8H,1-4H3,(H2,15,16,19).
What are the key properties of 1-(4-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea?
1-(4-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea has a molecular weight of 258.32 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea is sourced from PubChem (CID 4885076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).