3-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole-5-carbaldehyde

C15H18N2O2 — CID 84761434

IUPAC3-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole-5-carbaldehyde
SMILESCOc1ccc(C(C)C)cc1-c1cc(C=O)n(C)n1
InChIInChI=1S/C15H18N2O2/c1-10(2)11-5-6-15(19-4)13(7-11)14-8-12(9-18)17(3)16-14/h5-10H,1-4H3
InChIKeyGQAPWIACMBUOKX-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.03
Rot. Bonds4

About 3-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole-5-carbaldehyde

3-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole-5-carbaldehyde (PubChem CID 84761434) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole-5-carbaldehyde.

Molecular Properties

Compound Name3-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole-5-carbaldehyde
PubChem CID84761434
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole-5-carbaldehyde
SMILESCOc1ccc(C(C)C)cc1-c1cc(C=O)n(C)n1
InChIInChI=1S/C15H18N2O2/c1-10(2)11-5-6-15(19-4)13(7-11)14-8-12(9-18)17(3)16-14/h5-10H,1-4H3
InChIKeyGQAPWIACMBUOKX-UHFFFAOYSA-N
XLogP3.03
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.03
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

3-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole
CID 170591096
3-(3,4-dimethoxyphenyl)-1-methylpyrazole-5-carbaldehyde
CID 84761406
3-[5-(1-fluoroethyl)-2-methoxyphenyl]-1-methylpyrazol-5-amine
CID 117376001
5-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole
CID 116869119
[5-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine
CID 82484705
(2S)-2-[4-(2-methoxy-5-propan-2-ylphenyl)triazol-1-yl]-3-methylbutanamide
CID 72915347
6-(2-methoxy-5-propan-2-ylphenyl)pyrimidine-4-carboxylic acid
CID 82306293
6-(2-methoxy-5-propan-2-ylphenyl)-N-methylpyrimidin-4-amine
CID 82483020
6-(5-bromo-2-methoxyphenyl)imidazo[1,2-b]pyridazine-3-carbaldehyde
CID 116854403
6-(2-methoxy-5-propan-2-ylphenyl)-3-methyl-1,2,4-triazin-5-amine
CID 116823436
5-(2-methoxy-5-propan-2-ylphenyl)-2,6-dimethylpyrimidin-4-amine
CID 95474423
2-[3-(2-methoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-yl]acetic acid
CID 82489022

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole-5-carbaldehyde?
The IUPAC name of 3-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole-5-carbaldehyde (CID 84761434) is 3-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole-5-carbaldehyde.
What is the SMILES notation for 3-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole-5-carbaldehyde?
The canonical SMILES for 3-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole-5-carbaldehyde is COc1ccc(C(C)C)cc1-c1cc(C=O)n(C)n1.
What is the InChIKey of 3-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole-5-carbaldehyde?
The InChIKey is GQAPWIACMBUOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10(2)11-5-6-15(19-4)13(7-11)14-8-12(9-18)17(3)16-14/h5-10H,1-4H3.
What are the key properties of 3-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole-5-carbaldehyde?
3-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole-5-carbaldehyde has a molecular weight of 258.32 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole-5-carbaldehyde is sourced from PubChem (CID 84761434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).