3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,1-dimethylurea

C10H18N4O — CID 115887051

IUPAC3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,1-dimethylurea
SMILESCCc1nn(C)cc1CNC(=O)N(C)C
InChIInChI=1S/C10H18N4O/c1-5-9-8(7-14(4)12-9)6-11-10(15)13(2)3/h7H,5-6H2,1-4H3,(H,11,15)
InChIKeyWDGGEAYYBWJPJS-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.75
Rot. Bonds3

About 3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,1-dimethylurea

3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,1-dimethylurea (PubChem CID 115887051) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,1-dimethylurea
PubChem CID115887051
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,1-dimethylurea
SMILESCCc1nn(C)cc1CNC(=O)N(C)C
InChIInChI=1S/C10H18N4O/c1-5-9-8(7-14(4)12-9)6-11-10(15)13(2)3/h7H,5-6H2,1-4H3,(H,11,15)
InChIKeyWDGGEAYYBWJPJS-UHFFFAOYSA-N
XLogP0.75
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl-(2-methoxyethyl)amino]acetic acid
CID 115991082
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-hydroxy-2-methylpropanamide
CID 103430361
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 120705685
2-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]butanamide
CID 112668671
1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(2-methylprop-2-enyl)urea
CID 91661490
5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-5-oxopentanoic acid
CID 112668369
2-(ethylamino)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropanamide
CID 112669318
2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
CID 112669353
5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 102688886
(3S)-3-[(dimethylamino)methyl]-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 99628750
1-cyclopentyl-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]urea
CID 115887050
(2S)-3-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoylamino]-2-hydroxypropanoic acid
CID 114007698

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,1-dimethylurea?
The IUPAC name of 3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,1-dimethylurea (CID 115887051) is 3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,1-dimethylurea?
The canonical SMILES for 3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,1-dimethylurea is CCc1nn(C)cc1CNC(=O)N(C)C.
What is the InChIKey of 3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,1-dimethylurea?
The InChIKey is WDGGEAYYBWJPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-5-9-8(7-14(4)12-9)6-11-10(15)13(2)3/h7H,5-6H2,1-4H3,(H,11,15).
What are the key properties of 3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,1-dimethylurea?
3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,1-dimethylurea has a molecular weight of 210.28 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,1-dimethylurea is sourced from PubChem (CID 115887051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).