1-(2,3-dimethylphenyl)-3-(2-methylpyrazol-3-yl)urea

C13H16N4O — CID 108813668

IUPAC1-(2,3-dimethylphenyl)-3-(2-methylpyrazol-3-yl)urea
SMILESCc1cccc(NC(=O)Nc2ccnn2C)c1C
InChIInChI=1S/C13H16N4O/c1-9-5-4-6-11(10(9)2)15-13(18)16-12-7-8-14-17(12)3/h4-8H,1-3H3,(H2,15,16,18)
InChIKeyMEZAWDQAVKIKRV-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.68
Rot. Bonds2

About 1-(2,3-dimethylphenyl)-3-(2-methylpyrazol-3-yl)urea

1-(2,3-dimethylphenyl)-3-(2-methylpyrazol-3-yl)urea (PubChem CID 108813668) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-3-(2-methylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-3-(2-methylpyrazol-3-yl)urea
PubChem CID108813668
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-(2,3-dimethylphenyl)-3-(2-methylpyrazol-3-yl)urea
SMILESCc1cccc(NC(=O)Nc2ccnn2C)c1C
InChIInChI=1S/C13H16N4O/c1-9-5-4-6-11(10(9)2)15-13(18)16-12-7-8-14-17(12)3/h4-8H,1-3H3,(H2,15,16,18)
InChIKeyMEZAWDQAVKIKRV-UHFFFAOYSA-N
XLogP2.68
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(2-methylpyrazol-3-yl)benzamide
CID 66675219
2-bromo-3-methyl-N-(2-methylpyrazol-3-yl)benzamide
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1-(2,3-dimethylphenyl)-3-(2-propan-2-ylphenyl)urea
CID 108991425
1-(2-methylpyrazol-3-yl)-3-pyridin-3-ylurea
CID 108813744
4-(2,3-dimethylphenyl)-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide;hydrochloride
CID 108813826
N-(2,3-dimethylphenyl)-2-(5-methylpyrazol-1-yl)propanamide
CID 19537151
N-[(2,3-dimethylphenyl)methyl]-2-methylpyrazol-3-amine
CID 71916690
1-(2,3-dimethylphenyl)-3-(3,5-dimethylphenyl)urea
CID 17279836
2-[(2,3-dimethylphenyl)carbamoylamino]benzamide
CID 127573496
1-(2-fluoroethyl)-3-(2-methylpyrazol-3-yl)urea
CID 130637088
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(2,3-dimethylphenyl)urea
CID 17378544
N-(2,3-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 17423389

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-3-(2-methylpyrazol-3-yl)urea?
The IUPAC name of 1-(2,3-dimethylphenyl)-3-(2-methylpyrazol-3-yl)urea (CID 108813668) is 1-(2,3-dimethylphenyl)-3-(2-methylpyrazol-3-yl)urea.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-3-(2-methylpyrazol-3-yl)urea?
The canonical SMILES for 1-(2,3-dimethylphenyl)-3-(2-methylpyrazol-3-yl)urea is Cc1cccc(NC(=O)Nc2ccnn2C)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-3-(2-methylpyrazol-3-yl)urea?
The InChIKey is MEZAWDQAVKIKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-5-4-6-11(10(9)2)15-13(18)16-12-7-8-14-17(12)3/h4-8H,1-3H3,(H2,15,16,18).
What are the key properties of 1-(2,3-dimethylphenyl)-3-(2-methylpyrazol-3-yl)urea?
1-(2,3-dimethylphenyl)-3-(2-methylpyrazol-3-yl)urea has a molecular weight of 244.30 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-3-(2-methylpyrazol-3-yl)urea is sourced from PubChem (CID 108813668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).