5-[2-methoxyethyl(methyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde

C10H17N3O2 — CID 58764276

IUPAC5-[2-methoxyethyl(methyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde
SMILESCOCCN(C)c1c(C=O)c(C)nn1C
InChIInChI=1S/C10H17N3O2/c1-8-9(7-14)10(13(3)11-8)12(2)5-6-15-4/h7H,5-6H2,1-4H3
InChIKeyOJWCJMFWOWZJSF-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.62
Rot. Bonds5

About 5-[2-methoxyethyl(methyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde

5-[2-methoxyethyl(methyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde (PubChem CID 58764276) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 5-[2-methoxyethyl(methyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-[2-methoxyethyl(methyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde
PubChem CID58764276
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name5-[2-methoxyethyl(methyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde
SMILESCOCCN(C)c1c(C=O)c(C)nn1C
InChIInChI=1S/C10H17N3O2/c1-8-9(7-14)10(13(3)11-8)12(2)5-6-15-4/h7H,5-6H2,1-4H3
InChIKeyOJWCJMFWOWZJSF-UHFFFAOYSA-N
XLogP0.62
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,3-Dimethyl-5-(morpholin-4-yl)-1H-pyrazole-4-carbaldehyde
CID 2776494
1-methyl-5-(morpholin-4-yl)-3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde
CID 50986547
3-(Difluoromethyl)-5-(dimethylamino)-1-methyl-1H-pyrazole-4-carbaldehyde
CID 58764261
2,4,5-tris(fluoromethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-3-carbaldehyde
CID 175994229
5-(dimethylamino)-1,3-dimethyl-1H-pyrazole-4-carbaldehyde
CID 11412595
5-(3,5-Dimethylpiperidin-1-yl)-1,3-dimethylpyrazole-4-carbaldehyde
CID 43122025
5-[Ethyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde
CID 55010235
1,3-Dimethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pyrazole-4-carbaldehyde
CID 55010238
5-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde
CID 55010765
1,3-Dimethyl-5-[propyl(2,2,2-trifluoroethyl)amino]pyrazole-4-carbaldehyde
CID 55010867
1,3-Dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pyrazole-4-carbaldehyde
CID 60890811
1,3-Dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazole-4-carbaldehyde
CID 62969113

Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxyethyl(methyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde?
The IUPAC name of 5-[2-methoxyethyl(methyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde (CID 58764276) is 5-[2-methoxyethyl(methyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde.
What is the SMILES notation for 5-[2-methoxyethyl(methyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde?
The canonical SMILES for 5-[2-methoxyethyl(methyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde is COCCN(C)c1c(C=O)c(C)nn1C.
What is the InChIKey of 5-[2-methoxyethyl(methyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde?
The InChIKey is OJWCJMFWOWZJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-8-9(7-14)10(13(3)11-8)12(2)5-6-15-4/h7H,5-6H2,1-4H3.
What are the key properties of 5-[2-methoxyethyl(methyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde?
5-[2-methoxyethyl(methyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde has a molecular weight of 211.26 g/mol, XLogP of 0.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxyethyl(methyl)amino]-1,3-dimethylpyrazole-4-carbaldehyde is sourced from PubChem (CID 58764276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).