2-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-hydroxyacetaldehyde

C10H17N3O3 — CID 114636576

IUPAC2-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-hydroxyacetaldehyde
SMILESCOc1cnn(CCN(C)C)c1C(O)C=O
InChIInChI=1S/C10H17N3O3/c1-12(2)4-5-13-10(8(15)7-14)9(16-3)6-11-13/h6-8,15H,4-5H2,1-3H3
InChIKeyZFPUHDHMNSBCCJ-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.31
Rot. Bonds6

About 2-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-hydroxyacetaldehyde

2-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-hydroxyacetaldehyde (PubChem CID 114636576) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-hydroxyacetaldehyde.

Molecular Properties

Compound Name2-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-hydroxyacetaldehyde
PubChem CID114636576
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name2-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-hydroxyacetaldehyde
SMILESCOc1cnn(CCN(C)C)c1C(O)C=O
InChIInChI=1S/C10H17N3O3/c1-12(2)4-5-13-10(8(15)7-14)9(16-3)6-11-13/h6-8,15H,4-5H2,1-3H3
InChIKeyZFPUHDHMNSBCCJ-UHFFFAOYSA-N
XLogP-0.31
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-propan-2-yloxyethanol
CID 105127519
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-4-methoxybutan-1-ol
CID 114643797
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-3-methoxy-3-methylbutan-1-ol
CID 103027699
4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]pentan-2-one
CID 114663647
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]ethanamine
CID 114646809
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-(propylamino)ethanol
CID 114665822
[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-pyrimidin-2-ylmethanol
CID 114643046
1-[2-(dimethylamino)ethyl]-4-methoxypyrazole-5-carbaldehyde
CID 114640202
3-bicyclo[3.1.0]hexanyl-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanol
CID 115834678
[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(4-methylcyclohexyl)methanol
CID 114636462
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-ethyl-2,2-difluoroethanamine
CID 103517114
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-N-ethylbut-3-en-1-amine
CID 114660836

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-hydroxyacetaldehyde?
The IUPAC name of 2-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-hydroxyacetaldehyde (CID 114636576) is 2-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-hydroxyacetaldehyde.
What is the SMILES notation for 2-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-hydroxyacetaldehyde?
The canonical SMILES for 2-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-hydroxyacetaldehyde is COc1cnn(CCN(C)C)c1C(O)C=O.
What is the InChIKey of 2-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-hydroxyacetaldehyde?
The InChIKey is ZFPUHDHMNSBCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-12(2)4-5-13-10(8(15)7-14)9(16-3)6-11-13/h6-8,15H,4-5H2,1-3H3.
What are the key properties of 2-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-hydroxyacetaldehyde?
2-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-hydroxyacetaldehyde has a molecular weight of 227.26 g/mol, XLogP of -0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-hydroxyacetaldehyde is sourced from PubChem (CID 114636576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).