1-methyl-3-[4-(2-methylpropyl)phenyl]pyrazole-5-carbaldehyde

C15H18N2O — CID 84761443

IUPAC1-methyl-3-[4-(2-methylpropyl)phenyl]pyrazole-5-carbaldehyde
SMILESCC(C)Cc1ccc(-c2cc(C=O)n(C)n2)cc1
InChIInChI=1S/C15H18N2O/c1-11(2)8-12-4-6-13(7-5-12)15-9-14(10-18)17(3)16-15/h4-7,9-11H,8H2,1-3H3
InChIKeyFSKYLECZRQRXLL-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.10
Rot. Bonds4

About 1-methyl-3-[4-(2-methylpropyl)phenyl]pyrazole-5-carbaldehyde

1-methyl-3-[4-(2-methylpropyl)phenyl]pyrazole-5-carbaldehyde (PubChem CID 84761443) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-methyl-3-[4-(2-methylpropyl)phenyl]pyrazole-5-carbaldehyde.

Molecular Properties

Compound Name1-methyl-3-[4-(2-methylpropyl)phenyl]pyrazole-5-carbaldehyde
PubChem CID84761443
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-methyl-3-[4-(2-methylpropyl)phenyl]pyrazole-5-carbaldehyde
SMILESCC(C)Cc1ccc(-c2cc(C=O)n(C)n2)cc1
InChIInChI=1S/C15H18N2O/c1-11(2)8-12-4-6-13(7-5-12)15-9-14(10-18)17(3)16-15/h4-7,9-11H,8H2,1-3H3
InChIKeyFSKYLECZRQRXLL-UHFFFAOYSA-N
XLogP3.10
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.10
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-methyl-3-naphthalen-2-ylpyrazole-5-carbaldehyde
CID 84761398
3-(3,4-dimethoxyphenyl)-1-methylpyrazole-5-carbaldehyde
CID 84761406
3-(4-cyclohexylphenyl)-1-methylpyrazole-5-carbaldehyde
CID 84761447
3-[(4-chlorophenyl)methyl]-1-methylpyrazole-5-carbaldehyde
CID 115093132
3-[4-(2-methylpropyl)phenyl]-1-propylpyrazole-4-carbaldehyde
CID 63566440
5-methyl-3-[4-(2-methylpropyl)phenyl]-1,2-oxazole
CID 143746738
1-methyl-3-pyrimidin-2-ylpyrazole-5-carbaldehyde
CID 175957733
1-tert-butyl-3-[4-(2-methylpropyl)phenyl]pyrazole-4-carbaldehyde
CID 43324213
1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-5-carbaldehyde
CID 115093118
3-methyl-5-[4-(2-methylpropyl)phenyl]benzaldehyde
CID 172652242
4-methyl-3-[4-(2-methylpropyl)phenyl]benzaldehyde
CID 105409668
[2-formyl-5-[4-(2-methylpropyl)phenyl]phenyl]boronic acid
CID 170616315

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-(2-methylpropyl)phenyl]pyrazole-5-carbaldehyde?
The IUPAC name of 1-methyl-3-[4-(2-methylpropyl)phenyl]pyrazole-5-carbaldehyde (CID 84761443) is 1-methyl-3-[4-(2-methylpropyl)phenyl]pyrazole-5-carbaldehyde.
What is the SMILES notation for 1-methyl-3-[4-(2-methylpropyl)phenyl]pyrazole-5-carbaldehyde?
The canonical SMILES for 1-methyl-3-[4-(2-methylpropyl)phenyl]pyrazole-5-carbaldehyde is CC(C)Cc1ccc(-c2cc(C=O)n(C)n2)cc1.
What is the InChIKey of 1-methyl-3-[4-(2-methylpropyl)phenyl]pyrazole-5-carbaldehyde?
The InChIKey is FSKYLECZRQRXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11(2)8-12-4-6-13(7-5-12)15-9-14(10-18)17(3)16-15/h4-7,9-11H,8H2,1-3H3.
What are the key properties of 1-methyl-3-[4-(2-methylpropyl)phenyl]pyrazole-5-carbaldehyde?
1-methyl-3-[4-(2-methylpropyl)phenyl]pyrazole-5-carbaldehyde has a molecular weight of 242.32 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-(2-methylpropyl)phenyl]pyrazole-5-carbaldehyde is sourced from PubChem (CID 84761443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).