1-(2,4-dimethylphenyl)-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea

C15H20N4O — CID 53016467

IUPAC1-(2,4-dimethylphenyl)-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
SMILESCNC(=O)N(Cc1cnn(C)c1)c1ccc(C)cc1C
InChIInChI=1S/C15H20N4O/c1-11-5-6-14(12(2)7-11)19(15(20)16-3)10-13-8-17-18(4)9-13/h5-9H,10H2,1-4H3,(H,16,20)
InChIKeyNXCGOZQSQQJYKW-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.38
Rot. Bonds3

About 1-(2,4-dimethylphenyl)-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea

1-(2,4-dimethylphenyl)-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea (PubChem CID 53016467) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
PubChem CID53016467
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-(2,4-dimethylphenyl)-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
SMILESCNC(=O)N(Cc1cnn(C)c1)c1ccc(C)cc1C
InChIInChI=1S/C15H20N4O/c1-11-5-6-14(12(2)7-11)19(15(20)16-3)10-13-8-17-18(4)9-13/h5-9H,10H2,1-4H3,(H,16,20)
InChIKeyNXCGOZQSQQJYKW-UHFFFAOYSA-N
XLogP2.38
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea (CID 53016467) is 1-(2,4-dimethylphenyl)-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea is CNC(=O)N(Cc1cnn(C)c1)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea?
The InChIKey is NXCGOZQSQQJYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11-5-6-14(12(2)7-11)19(15(20)16-3)10-13-8-17-18(4)9-13/h5-9H,10H2,1-4H3,(H,16,20).
What are the key properties of 1-(2,4-dimethylphenyl)-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea?
1-(2,4-dimethylphenyl)-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea has a molecular weight of 272.35 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 53016467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).