5-(2-methoxyphenyl)-1H-pyrazole-4-carbaldehyde

C11H10N2O2 — CID 4067971

IUPAC5-(2-methoxyphenyl)-1H-pyrazole-4-carbaldehyde
SMILESCOc1ccccc1-c1[nH]ncc1C=O
InChIInChI=1S/C11H10N2O2/c1-15-10-5-3-2-4-9(10)11-8(7-14)6-12-13-11/h2-7H,1H3,(H,12,13)
InChIKeySOQVRLREJSNDQA-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.90
Rot. Bonds3

About 5-(2-methoxyphenyl)-1H-pyrazole-4-carbaldehyde

5-(2-methoxyphenyl)-1H-pyrazole-4-carbaldehyde (PubChem CID 4067971) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-1H-pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-1H-pyrazole-4-carbaldehyde
PubChem CID4067971
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name5-(2-methoxyphenyl)-1H-pyrazole-4-carbaldehyde
SMILESCOc1ccccc1-c1[nH]ncc1C=O
InChIInChI=1S/C11H10N2O2/c1-15-10-5-3-2-4-9(10)11-8(7-14)6-12-13-11/h2-7H,1H3,(H,12,13)
InChIKeySOQVRLREJSNDQA-UHFFFAOYSA-N
XLogP1.90
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methoxyphenyl)-1H-pyrazole-5-carbaldehyde
CID 105422977
5-(2-methoxyphenyl)-1H-pyrazol-4-amine;hydrochloride
CID 13303418
5-(2-methoxyphenyl)-1,2-thiazole-4-carbaldehyde
CID 83822098
5-(2-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 174686402
5-(3-ethyl-4-methoxyphenyl)-1H-pyrazole-4-carbaldehyde
CID 71565110
N-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 79485564
5-bromo-4-(2-methoxyphenyl)-1H-pyrazole
CID 84707753
1-[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]piperidin-4-amine
CID 117209876
N'-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 86303839
4-(2-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 174686401
2-chloro-3-(2-methoxyphenyl)benzaldehyde
CID 175756808
2-amino-5-(2-methoxyphenyl)pyridine-3-carbaldehyde
CID 115036600

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-1H-pyrazole-4-carbaldehyde?
The IUPAC name of 5-(2-methoxyphenyl)-1H-pyrazole-4-carbaldehyde (CID 4067971) is 5-(2-methoxyphenyl)-1H-pyrazole-4-carbaldehyde.
What is the SMILES notation for 5-(2-methoxyphenyl)-1H-pyrazole-4-carbaldehyde?
The canonical SMILES for 5-(2-methoxyphenyl)-1H-pyrazole-4-carbaldehyde is COc1ccccc1-c1[nH]ncc1C=O.
What is the InChIKey of 5-(2-methoxyphenyl)-1H-pyrazole-4-carbaldehyde?
The InChIKey is SOQVRLREJSNDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-15-10-5-3-2-4-9(10)11-8(7-14)6-12-13-11/h2-7H,1H3,(H,12,13).
What are the key properties of 5-(2-methoxyphenyl)-1H-pyrazole-4-carbaldehyde?
5-(2-methoxyphenyl)-1H-pyrazole-4-carbaldehyde has a molecular weight of 202.21 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-1H-pyrazole-4-carbaldehyde is sourced from PubChem (CID 4067971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).