1-(ethoxymethyl)-4-methylpyrazole-5-carbaldehyde

C8H12N2O2 — CID 139675051

IUPAC1-(ethoxymethyl)-4-methylpyrazole-5-carbaldehyde
SMILESCCOCn1ncc(C)c1C=O
InChIInChI=1S/C8H12N2O2/c1-3-12-6-10-8(5-11)7(2)4-9-10/h4-5H,3,6H2,1-2H3
InChIKeyMIBFAFDVMGPKBO-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.00
Rot. Bonds4

About 1-(ethoxymethyl)-4-methylpyrazole-5-carbaldehyde

1-(ethoxymethyl)-4-methylpyrazole-5-carbaldehyde (PubChem CID 139675051) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 1-(ethoxymethyl)-4-methylpyrazole-5-carbaldehyde.

Molecular Properties

Compound Name1-(ethoxymethyl)-4-methylpyrazole-5-carbaldehyde
PubChem CID139675051
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name1-(ethoxymethyl)-4-methylpyrazole-5-carbaldehyde
SMILESCCOCn1ncc(C)c1C=O
InChIInChI=1S/C8H12N2O2/c1-3-12-6-10-8(5-11)7(2)4-9-10/h4-5H,3,6H2,1-2H3
InChIKeyMIBFAFDVMGPKBO-UHFFFAOYSA-N
XLogP1.00
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1-pentylpyrazole-5-carbaldehyde
CID 139675101
1-(3-chloroprop-2-enyl)-4-methylpyrazole-5-carbaldehyde
CID 139675384
2-(ethoxymethyl)-5-iodopyridazin-3-one
CID 114553389
3-(ethoxymethyl)-5-iodoimidazole-4-carbaldehyde
CID 102251748
4-methyl-1-propan-2-ylpyrazole-5-carbaldehyde
CID 139675289
4-bromo-1-ethylpyrazole-5-carbaldehyde
CID 7019417
1-(2-ethoxyethyl)-5-methylpyrazol-4-amine
CID 165473067
1-(3,5-dichlorophenyl)-4-methylpyrazole-5-carbaldehyde
CID 139674921
2-[(4,5-dimethylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 156784527
1-(ethoxymethyl)indazol-6-amine
CID 65369977
5-methyl-1-(2-trimethylsilylethoxymethyl)indazole-4-carbaldehyde
CID 164900212
4-methyl-1-naphthalen-1-ylpyrazole-5-carbaldehyde
CID 139675198

Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)-4-methylpyrazole-5-carbaldehyde?
The IUPAC name of 1-(ethoxymethyl)-4-methylpyrazole-5-carbaldehyde (CID 139675051) is 1-(ethoxymethyl)-4-methylpyrazole-5-carbaldehyde.
What is the SMILES notation for 1-(ethoxymethyl)-4-methylpyrazole-5-carbaldehyde?
The canonical SMILES for 1-(ethoxymethyl)-4-methylpyrazole-5-carbaldehyde is CCOCn1ncc(C)c1C=O.
What is the InChIKey of 1-(ethoxymethyl)-4-methylpyrazole-5-carbaldehyde?
The InChIKey is MIBFAFDVMGPKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-3-12-6-10-8(5-11)7(2)4-9-10/h4-5H,3,6H2,1-2H3.
What are the key properties of 1-(ethoxymethyl)-4-methylpyrazole-5-carbaldehyde?
1-(ethoxymethyl)-4-methylpyrazole-5-carbaldehyde has a molecular weight of 168.20 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-4-methylpyrazole-5-carbaldehyde is sourced from PubChem (CID 139675051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).