1-methyl-3-(2-morpholin-4-ylethyl)pyrazole-4-carbaldehyde

C11H17N3O2 — CID 96605707

IUPAC1-methyl-3-(2-morpholin-4-ylethyl)pyrazole-4-carbaldehyde
SMILESCn1cc(C=O)c(CCN2CCOCC2)n1
InChIInChI=1S/C11H17N3O2/c1-13-8-10(9-15)11(12-13)2-3-14-4-6-16-7-5-14/h8-9H,2-7H2,1H3
InChIKeyPXDFLPTVRNXUOC-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.11
Rot. Bonds4

About 1-methyl-3-(2-morpholin-4-ylethyl)pyrazole-4-carbaldehyde

1-methyl-3-(2-morpholin-4-ylethyl)pyrazole-4-carbaldehyde (PubChem CID 96605707) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-methyl-3-(2-morpholin-4-ylethyl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-methyl-3-(2-morpholin-4-ylethyl)pyrazole-4-carbaldehyde
PubChem CID96605707
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-methyl-3-(2-morpholin-4-ylethyl)pyrazole-4-carbaldehyde
SMILESCn1cc(C=O)c(CCN2CCOCC2)n1
InChIInChI=1S/C11H17N3O2/c1-13-8-10(9-15)11(12-13)2-3-14-4-6-16-7-5-14/h8-9H,2-7H2,1H3
InChIKeyPXDFLPTVRNXUOC-UHFFFAOYSA-N
XLogP0.11
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.11
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-methyl-3-[(4-propan-2-ylpiperazin-1-yl)methyl]pyrazole-4-carbaldehyde
CID 165457665
2-methyl-5-(2-morpholin-4-ylethyl)benzaldehyde
CID 143796960
3-[(dimethylamino)methyl]-1-methylpyrazole-4-carbaldehyde
CID 165457660
1-methyl-3-(2-pyrrolidin-1-ylethyl)pyrazole-4-carboxylic acid
CID 83823040
4-[2-(1-methyl-3-nitropyrazol-4-yl)ethyl]morpholine
CID 23852668
2-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde
CID 117135596
1-(1,3-dimethylpyrazol-4-yl)-3-morpholin-4-ylpropan-1-one;hydrochloride
CID 90484229
2-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carbaldehyde
CID 115084695
2-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 117130916
1-methyl-3-(1,2-oxazol-3-ylmethyl)pyrazole-4-carbaldehyde
CID 96624768
1-methyl-3-(2-pyrrolidin-1-ylethyl)pyrazol-4-amine
CID 83818500
4-bromo-1-methyl-3-(2-morpholin-4-ylethyl)pyrazole-5-carboxylic acid
CID 166022494

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-morpholin-4-ylethyl)pyrazole-4-carbaldehyde?
The IUPAC name of 1-methyl-3-(2-morpholin-4-ylethyl)pyrazole-4-carbaldehyde (CID 96605707) is 1-methyl-3-(2-morpholin-4-ylethyl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-methyl-3-(2-morpholin-4-ylethyl)pyrazole-4-carbaldehyde?
The canonical SMILES for 1-methyl-3-(2-morpholin-4-ylethyl)pyrazole-4-carbaldehyde is Cn1cc(C=O)c(CCN2CCOCC2)n1.
What is the InChIKey of 1-methyl-3-(2-morpholin-4-ylethyl)pyrazole-4-carbaldehyde?
The InChIKey is PXDFLPTVRNXUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-13-8-10(9-15)11(12-13)2-3-14-4-6-16-7-5-14/h8-9H,2-7H2,1H3.
What are the key properties of 1-methyl-3-(2-morpholin-4-ylethyl)pyrazole-4-carbaldehyde?
1-methyl-3-(2-morpholin-4-ylethyl)pyrazole-4-carbaldehyde has a molecular weight of 223.28 g/mol, XLogP of 0.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-morpholin-4-ylethyl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 96605707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).