3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylbenzaldehyde

C15H18N2O — CID 105409697

IUPAC3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylbenzaldehyde
SMILESCCn1nc(C)c(-c2cc(C=O)ccc2C)c1C
InChIInChI=1S/C15H18N2O/c1-5-17-12(4)15(11(3)16-17)14-8-13(9-18)7-6-10(14)2/h6-9H,5H2,1-4H3
InChIKeyBFHZHXFHDQRRFY-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.31
Rot. Bonds3

About 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylbenzaldehyde

3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylbenzaldehyde (PubChem CID 105409697) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylbenzaldehyde.

Molecular Properties

Compound Name3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylbenzaldehyde
PubChem CID105409697
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylbenzaldehyde
SMILESCCn1nc(C)c(-c2cc(C=O)ccc2C)c1C
InChIInChI=1S/C15H18N2O/c1-5-17-12(4)15(11(3)16-17)14-8-13(9-18)7-6-10(14)2/h6-9H,5H2,1-4H3
InChIKeyBFHZHXFHDQRRFY-UHFFFAOYSA-N
XLogP3.31
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylaniline
CID 63805681
N-[[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylphenyl]methyl]ethanamine
CID 105409982
3-(2-ethylpyrazol-3-yl)-4-methylbenzaldehyde
CID 105408142
N-[[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylphenyl]methyl]propan-2-amine
CID 105409980
4-fluoro-3-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde
CID 54910083
N-[[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-methylphenyl]methyl]ethanamine
CID 66480856
4-(1-ethyl-5-methylpyrazol-4-yl)benzaldehyde
CID 66099115
N-[[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)phenyl]methyl]propan-1-amine
CID 63805160
4-methoxy-3-(1,3,5-trimethylpyrazol-4-yl)benzaldehyde
CID 82039757
2-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzoic acid
CID 63804633
2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-5-fluoroaniline
CID 107627143
N-[[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)furan-2-yl]methyl]propan-1-amine
CID 106888759

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylbenzaldehyde?
The IUPAC name of 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylbenzaldehyde (CID 105409697) is 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylbenzaldehyde.
What is the SMILES notation for 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylbenzaldehyde?
The canonical SMILES for 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylbenzaldehyde is CCn1nc(C)c(-c2cc(C=O)ccc2C)c1C.
What is the InChIKey of 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylbenzaldehyde?
The InChIKey is BFHZHXFHDQRRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-5-17-12(4)15(11(3)16-17)14-8-13(9-18)7-6-10(14)2/h6-9H,5H2,1-4H3.
What are the key properties of 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylbenzaldehyde?
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylbenzaldehyde has a molecular weight of 242.32 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylbenzaldehyde is sourced from PubChem (CID 105409697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).