1-[2-(dimethylamino)ethyl]-4-methoxypyrazole-5-carbaldehyde

C9H15N3O2 — CID 114640202

IUPAC1-[2-(dimethylamino)ethyl]-4-methoxypyrazole-5-carbaldehyde
SMILESCOc1cnn(CCN(C)C)c1C=O
InChIInChI=1S/C9H15N3O2/c1-11(2)4-5-12-8(7-13)9(14-3)6-10-12/h6-7H,4-5H2,1-3H3
InChIKeyKCCUVYKNBHBRAD-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.27
Rot. Bonds5

About 1-[2-(dimethylamino)ethyl]-4-methoxypyrazole-5-carbaldehyde

1-[2-(dimethylamino)ethyl]-4-methoxypyrazole-5-carbaldehyde (PubChem CID 114640202) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-4-methoxypyrazole-5-carbaldehyde.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-4-methoxypyrazole-5-carbaldehyde
PubChem CID114640202
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name1-[2-(dimethylamino)ethyl]-4-methoxypyrazole-5-carbaldehyde
SMILESCOc1cnn(CCN(C)C)c1C=O
InChIInChI=1S/C9H15N3O2/c1-11(2)4-5-12-8(7-13)9(14-3)6-10-12/h6-7H,4-5H2,1-3H3
InChIKeyKCCUVYKNBHBRAD-UHFFFAOYSA-N
XLogP0.27
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.27
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

4-chloro-1-[2-(dimethylamino)ethyl]pyrazole-5-carbaldehyde
CID 114640197
2-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-hydroxyacetaldehyde
CID 114636576
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]ethanamine
CID 114646809
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methoxyethanone
CID 114639516
2-amino-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]propan-1-one
CID 114668269
4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]pentan-2-one
CID 114663647
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-3-methoxypropan-1-one
CID 114639473
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-4,4-dimethylpentan-3-one
CID 114663591
2-(dimethylamino)-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methylpropan-1-one
CID 114641063
2-[5-(3-chloro-2-methylpropyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114665514
7-bicyclo[4.1.0]heptanyl-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanone
CID 115803154
3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 114664539

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-4-methoxypyrazole-5-carbaldehyde?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-4-methoxypyrazole-5-carbaldehyde (CID 114640202) is 1-[2-(dimethylamino)ethyl]-4-methoxypyrazole-5-carbaldehyde.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-4-methoxypyrazole-5-carbaldehyde?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-4-methoxypyrazole-5-carbaldehyde is COc1cnn(CCN(C)C)c1C=O.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-4-methoxypyrazole-5-carbaldehyde?
The InChIKey is KCCUVYKNBHBRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-11(2)4-5-12-8(7-13)9(14-3)6-10-12/h6-7H,4-5H2,1-3H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-4-methoxypyrazole-5-carbaldehyde?
1-[2-(dimethylamino)ethyl]-4-methoxypyrazole-5-carbaldehyde has a molecular weight of 197.24 g/mol, XLogP of 0.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-4-methoxypyrazole-5-carbaldehyde is sourced from PubChem (CID 114640202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).