5-methoxy-1-phenylpyrazole-4-carbaldehyde

C11H10N2O2 — CID 131583769

IUPAC5-methoxy-1-phenylpyrazole-4-carbaldehyde
SMILESCOc1c(C=O)cnn1-c1ccccc1
InChIInChI=1S/C11H10N2O2/c1-15-11-9(8-14)7-12-13(11)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyQGUHTNVWQODDNG-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.69
Rot. Bonds3

About 5-methoxy-1-phenylpyrazole-4-carbaldehyde

5-methoxy-1-phenylpyrazole-4-carbaldehyde (PubChem CID 131583769) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 5-methoxy-1-phenylpyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-methoxy-1-phenylpyrazole-4-carbaldehyde
PubChem CID131583769
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name5-methoxy-1-phenylpyrazole-4-carbaldehyde
SMILESCOc1c(C=O)cnn1-c1ccccc1
InChIInChI=1S/C11H10N2O2/c1-15-11-9(8-14)7-12-13(11)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyQGUHTNVWQODDNG-UHFFFAOYSA-N
XLogP1.69
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.69
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

ethyl 4-formyl-1-phenylpyrazole-5-carboxylate
CID 112757155
5-[2-(methylamino)ethyl]-1-phenylpyrazole-4-carbaldehyde
CID 89296931
1,7-bis(5-methyl-1-phenylpyrazol-4-yl)hepta-1,6-diene-3,5-dione
CID 178184437
5-chloro-4-methoxy-1-phenylpyrazole
CID 117232898
4-(3,5-dimethyl-1,2-dihydropyrazol-3-yl)-5-methoxy-1-phenylpyrazole
CID 69404399
4-methoxy-2-phenyl-5-sulfanylpyridazin-3-one
CID 10944372
methyl 5-(2-formylpyrrol-1-yl)-1-phenylpyrazole-4-carboxylate
CID 4201600
5-fluoro-1-(4-methylphenyl)pyrazole-4-carbaldehyde
CID 115023285
1-(3-chlorophenyl)-5-methoxypyrazole-4-carboxylic acid
CID 115069036
(E)-2-methyl-3-(5-methyl-1-phenylpyrazol-4-yl)prop-2-enoic acid
CID 170873447
2-[5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]acetic acid
CID 115069138
CID 89040751
CID 89040751

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-phenylpyrazole-4-carbaldehyde?
The IUPAC name of 5-methoxy-1-phenylpyrazole-4-carbaldehyde (CID 131583769) is 5-methoxy-1-phenylpyrazole-4-carbaldehyde.
What is the SMILES notation for 5-methoxy-1-phenylpyrazole-4-carbaldehyde?
The canonical SMILES for 5-methoxy-1-phenylpyrazole-4-carbaldehyde is COc1c(C=O)cnn1-c1ccccc1.
What is the InChIKey of 5-methoxy-1-phenylpyrazole-4-carbaldehyde?
The InChIKey is QGUHTNVWQODDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-15-11-9(8-14)7-12-13(11)10-5-3-2-4-6-10/h2-8H,1H3.
What are the key properties of 5-methoxy-1-phenylpyrazole-4-carbaldehyde?
5-methoxy-1-phenylpyrazole-4-carbaldehyde has a molecular weight of 202.21 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-phenylpyrazole-4-carbaldehyde is sourced from PubChem (CID 131583769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).