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

C14H16N2O — CID 61238841

IUPAC4-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde
SMILESCCc1c(C)nn(-c2ccc(C=O)cc2)c1C
InChIInChI=1S/C14H16N2O/c1-4-14-10(2)15-16(11(14)3)13-7-5-12(9-17)6-8-13/h5-9H,4H2,1-3H3
InChIKeyKUNSBDPCJZKWKV-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.86
Rot. Bonds3

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

4-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde (PubChem CID 61238841) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde.

Molecular Properties

Compound Name4-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde
PubChem CID61238841
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name4-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde
SMILESCCc1c(C)nn(-c2ccc(C=O)cc2)c1C
InChIInChI=1S/C14H16N2O/c1-4-14-10(2)15-16(11(14)3)13-7-5-12(9-17)6-8-13/h5-9H,4H2,1-3H3
InChIKeyKUNSBDPCJZKWKV-UHFFFAOYSA-N
XLogP2.86
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.86
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

1-(4-chlorophenyl)-4-ethyl-3,5-dimethylpyrazole
CID 50888250
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde
CID 61238668
5-chloro-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde
CID 114844619
1-[3-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone
CID 79168257
1-[2-amino-5-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone
CID 104613148
4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylbenzonitrile
CID 81281768
N-[[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
CID 63173161
1-[3-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanamine
CID 79170217
(3,5-dimethyl-1-phenylpyrazol-4-yl)methanol
CID 2526674
3-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-N-ethylpropan-1-amine
CID 79219367
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-ethylpropan-1-amine
CID 79220500
[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 11532028

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde?
The IUPAC name of 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde (CID 61238841) is 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde.
What is the SMILES notation for 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde?
The canonical SMILES for 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde is CCc1c(C)nn(-c2ccc(C=O)cc2)c1C.
What is the InChIKey of 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde?
The InChIKey is KUNSBDPCJZKWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-4-14-10(2)15-16(11(14)3)13-7-5-12(9-17)6-8-13/h5-9H,4H2,1-3H3.
What are the key properties of 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde?
4-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde has a molecular weight of 228.30 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde is sourced from PubChem (CID 61238841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).