3-(4-tert-butylphenyl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde

C18H24N2O — CID 43145832

IUPAC3-(4-tert-butylphenyl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde
SMILESCC(C)Cn1cc(C=O)c(-c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C18H24N2O/c1-13(2)10-20-11-15(12-21)17(19-20)14-6-8-16(9-7-14)18(3,4)5/h6-9,11-13H,10H2,1-5H3
InChIKeyZHKRMDDOKDVXNM-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.32
Rot. Bonds4

About 3-(4-tert-butylphenyl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde

3-(4-tert-butylphenyl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde (PubChem CID 43145832) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde
PubChem CID43145832
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name3-(4-tert-butylphenyl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde
SMILESCC(C)Cn1cc(C=O)c(-c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C18H24N2O/c1-13(2)10-20-11-15(12-21)17(19-20)14-6-8-16(9-7-14)18(3,4)5/h6-9,11-13H,10H2,1-5H3
InChIKeyZHKRMDDOKDVXNM-UHFFFAOYSA-N
XLogP4.32
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.32
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-(4-chlorophenyl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde
CID 43328609
1-(2-methylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazole-4-carbaldehyde
CID 43328598
3-(3-chloro-4-fluorophenyl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde
CID 43145825
3-(4-fluoro-3-methoxyphenyl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde
CID 82880118
3-[4-(2-methylpropyl)phenyl]-1-propylpyrazole-4-carbaldehyde
CID 63566440
3-(5-bromo-2-pyridinyl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde
CID 114059311
3-(4-propan-2-ylphenyl)-1-propylpyrazole-4-carbaldehyde
CID 61266287
3-(4-methoxyphenyl)-1-(3-methylbutyl)pyrazole-4-carbaldehyde
CID 61414817
1-tert-butyl-3-[4-(2-methylpropyl)phenyl]pyrazole-4-carbaldehyde
CID 43324213
3-(4-methoxy-2,5-dimethylphenyl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde
CID 104508661
3-(1-benzothiophen-7-yl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde
CID 107354818
3-(2-chloro-4-methylsulfanylphenyl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde
CID 82878478

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde?
The IUPAC name of 3-(4-tert-butylphenyl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde (CID 43145832) is 3-(4-tert-butylphenyl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 3-(4-tert-butylphenyl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde?
The canonical SMILES for 3-(4-tert-butylphenyl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde is CC(C)Cn1cc(C=O)c(-c2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of 3-(4-tert-butylphenyl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde?
The InChIKey is ZHKRMDDOKDVXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-13(2)10-20-11-15(12-21)17(19-20)14-6-8-16(9-7-14)18(3,4)5/h6-9,11-13H,10H2,1-5H3.
What are the key properties of 3-(4-tert-butylphenyl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde?
3-(4-tert-butylphenyl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde has a molecular weight of 284.40 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-1-(2-methylpropyl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 43145832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).