3-(3,4-dimethylphenyl)-1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylurea

C19H28N4O — CID 53086282

IUPAC3-(3,4-dimethylphenyl)-1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylurea
SMILESCCn1nc(C)c(CCN(C)C(=O)Nc2ccc(C)c(C)c2)c1C
InChIInChI=1S/C19H28N4O/c1-7-23-16(5)18(15(4)21-23)10-11-22(6)19(24)20-17-9-8-13(2)14(3)12-17/h8-9,12H,7,10-11H2,1-6H3,(H,20,24)
InChIKeySWRNBABYDSLNRT-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.84
Rot. Bonds5

About 3-(3,4-dimethylphenyl)-1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylurea

3-(3,4-dimethylphenyl)-1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylurea (PubChem CID 53086282) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylurea.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylurea
PubChem CID53086282
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name3-(3,4-dimethylphenyl)-1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylurea
SMILESCCn1nc(C)c(CCN(C)C(=O)Nc2ccc(C)c(C)c2)c1C
InChIInChI=1S/C19H28N4O/c1-7-23-16(5)18(15(4)21-23)10-11-22(6)19(24)20-17-9-8-13(2)14(3)12-17/h8-9,12H,7,10-11H2,1-6H3,(H,20,24)
InChIKeySWRNBABYDSLNRT-UHFFFAOYSA-N
XLogP3.84
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromophenyl)-1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylurea
CID 53007926
3-(3-chloro-4-methylphenyl)-1-methyl-1-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 53086252
3-(3,4-dimethoxyphenyl)-1-methyl-1-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 53029162
3-(4-bromophenyl)-1-methyl-1-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 53007915
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxy-3-methylphenyl)urea
CID 56824173
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,2,5-trimethylbenzamide
CID 19454034
N-[4-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl-methylsulfamoyl]phenyl]-3-methylbutanamide
CID 46353507
2-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl-methylamino]-5-[(5-fluoro-2-methylphenyl)sulfonylamino]benzoic acid
CID 50766944
N-(3,4-dimethylphenyl)-2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]acetamide
CID 2559924
5-[[ethyl(methyl)carbamoyl]amino]-2-methylbenzoic acid
CID 63653015
1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(2-methylphenyl)urea
CID 20963995
N-[(3,4-dimethylphenyl)carbamoyl]-N-methylpropanamide
CID 144808255

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylurea?
The IUPAC name of 3-(3,4-dimethylphenyl)-1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylurea (CID 53086282) is 3-(3,4-dimethylphenyl)-1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylurea.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylurea?
The canonical SMILES for 3-(3,4-dimethylphenyl)-1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylurea is CCn1nc(C)c(CCN(C)C(=O)Nc2ccc(C)c(C)c2)c1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylurea?
The InChIKey is SWRNBABYDSLNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-7-23-16(5)18(15(4)21-23)10-11-22(6)19(24)20-17-9-8-13(2)14(3)12-17/h8-9,12H,7,10-11H2,1-6H3,(H,20,24).
What are the key properties of 3-(3,4-dimethylphenyl)-1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylurea?
3-(3,4-dimethylphenyl)-1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylurea has a molecular weight of 328.46 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-methylurea is sourced from PubChem (CID 53086282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).