3-[2-[(2,5-dimethylpyrazol-3-yl)methylamino]ethyl]-1,1-dimethylurea

C11H21N5O — CID 83121189

IUPAC3-[2-[(2,5-dimethylpyrazol-3-yl)methylamino]ethyl]-1,1-dimethylurea
SMILESCc1cc(CNCCNC(=O)N(C)C)n(C)n1
InChIInChI=1S/C11H21N5O/c1-9-7-10(16(4)14-9)8-12-5-6-13-11(17)15(2)3/h7,12H,5-6,8H2,1-4H3,(H,13,17)
InChIKeyWMKWXYGOVRAZOF-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.09
Rot. Bonds5

About 3-[2-[(2,5-dimethylpyrazol-3-yl)methylamino]ethyl]-1,1-dimethylurea

3-[2-[(2,5-dimethylpyrazol-3-yl)methylamino]ethyl]-1,1-dimethylurea (PubChem CID 83121189) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-[2-[(2,5-dimethylpyrazol-3-yl)methylamino]ethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-[(2,5-dimethylpyrazol-3-yl)methylamino]ethyl]-1,1-dimethylurea
PubChem CID83121189
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name3-[2-[(2,5-dimethylpyrazol-3-yl)methylamino]ethyl]-1,1-dimethylurea
SMILESCc1cc(CNCCNC(=O)N(C)C)n(C)n1
InChIInChI=1S/C11H21N5O/c1-9-7-10(16(4)14-9)8-12-5-6-13-11(17)15(2)3/h7,12H,5-6,8H2,1-4H3,(H,13,17)
InChIKeyWMKWXYGOVRAZOF-UHFFFAOYSA-N
XLogP0.09
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,1-dimethyl-3-[2-[(3-propylimidazol-4-yl)methylamino]ethyl]urea
CID 83116947
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide
CID 131005414
3-[2-[(3,4-dimethylphenyl)methylamino]ethyl]-1,1-dimethylurea
CID 83116011
3-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-1-[1-(4-methylphenyl)ethyl]urea
CID 138995501
3-[2-[(4-chloro-2,6-dimethylphenyl)methylamino]ethyl]-1,1-dimethylurea
CID 75450544
1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-propylthiourea
CID 19326874
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylbenzamide
CID 19294306
(2S)-2-[(2,5-dimethylpyrazol-3-yl)methylamino]propanoic acid
CID 83194398
3-[2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]ethyl]-1,1-dimethylurea
CID 83120996
1-[3-(diethylamino)propyl]-3-[(2,5-dimethylpyrazol-3-yl)methyl]thiourea
CID 19326860
1-(2,5-dimethylpyrazol-3-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]methanamine
CID 122166754
1-(dimethylamino)-3-(2,5-dimethylpyrazol-3-yl)propan-2-one
CID 79078418

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2,5-dimethylpyrazol-3-yl)methylamino]ethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-[(2,5-dimethylpyrazol-3-yl)methylamino]ethyl]-1,1-dimethylurea (CID 83121189) is 3-[2-[(2,5-dimethylpyrazol-3-yl)methylamino]ethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-[(2,5-dimethylpyrazol-3-yl)methylamino]ethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-[(2,5-dimethylpyrazol-3-yl)methylamino]ethyl]-1,1-dimethylurea is Cc1cc(CNCCNC(=O)N(C)C)n(C)n1.
What is the InChIKey of 3-[2-[(2,5-dimethylpyrazol-3-yl)methylamino]ethyl]-1,1-dimethylurea?
The InChIKey is WMKWXYGOVRAZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-9-7-10(16(4)14-9)8-12-5-6-13-11(17)15(2)3/h7,12H,5-6,8H2,1-4H3,(H,13,17).
What are the key properties of 3-[2-[(2,5-dimethylpyrazol-3-yl)methylamino]ethyl]-1,1-dimethylurea?
3-[2-[(2,5-dimethylpyrazol-3-yl)methylamino]ethyl]-1,1-dimethylurea has a molecular weight of 239.32 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2,5-dimethylpyrazol-3-yl)methylamino]ethyl]-1,1-dimethylurea is sourced from PubChem (CID 83121189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).