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

C11H10N2O2 — CID 105422977

IUPAC4-(2-methoxyphenyl)-1H-pyrazole-5-carbaldehyde
SMILESCOc1ccccc1-c1cn[nH]c1C=O
InChIInChI=1S/C11H10N2O2/c1-15-11-5-3-2-4-8(11)9-6-12-13-10(9)7-14/h2-7H,1H3,(H,12,13)
InChIKeyGVNQHECXJPZOHA-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.90
Rot. Bonds3

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

4-(2-methoxyphenyl)-1H-pyrazole-5-carbaldehyde (PubChem CID 105422977) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-1H-pyrazole-5-carbaldehyde.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-1H-pyrazole-5-carbaldehyde
PubChem CID105422977
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name4-(2-methoxyphenyl)-1H-pyrazole-5-carbaldehyde
SMILESCOc1ccccc1-c1cn[nH]c1C=O
InChIInChI=1S/C11H10N2O2/c1-15-11-5-3-2-4-8(11)9-6-12-13-10(9)7-14/h2-7H,1H3,(H,12,13)
InChIKeyGVNQHECXJPZOHA-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

5-(2-methoxyphenyl)-1H-pyrazole-4-carbaldehyde
CID 4067971
5-bromo-4-(2-methoxyphenyl)-1H-pyrazole
CID 84707753
1-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine
CID 105423244
2-(5-formyl-1H-pyrazol-4-yl)benzoic acid
CID 89326233
4-(2-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 174686401
3-(2-methoxyphenyl)pyridine-2-carbaldehyde
CID 86594750
5-(2-methoxyphenyl)-1H-pyrazol-4-amine;hydrochloride
CID 13303418
3-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]aniline
CID 73335294
4-methoxy-3-(5-methyl-1H-pyrazol-4-yl)benzaldehyde
CID 39222044
5-(2-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 174686402
5-(2-methoxyphenyl)-1,2-thiazole-4-carbaldehyde
CID 83822098
2-chloro-3-(2-methoxyphenyl)benzaldehyde
CID 175756808

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-1H-pyrazole-5-carbaldehyde?
The IUPAC name of 4-(2-methoxyphenyl)-1H-pyrazole-5-carbaldehyde (CID 105422977) is 4-(2-methoxyphenyl)-1H-pyrazole-5-carbaldehyde.
What is the SMILES notation for 4-(2-methoxyphenyl)-1H-pyrazole-5-carbaldehyde?
The canonical SMILES for 4-(2-methoxyphenyl)-1H-pyrazole-5-carbaldehyde is COc1ccccc1-c1cn[nH]c1C=O.
What is the InChIKey of 4-(2-methoxyphenyl)-1H-pyrazole-5-carbaldehyde?
The InChIKey is GVNQHECXJPZOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-15-11-5-3-2-4-8(11)9-6-12-13-10(9)7-14/h2-7H,1H3,(H,12,13).
What are the key properties of 4-(2-methoxyphenyl)-1H-pyrazole-5-carbaldehyde?
4-(2-methoxyphenyl)-1H-pyrazole-5-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 4-(2-methoxyphenyl)-1H-pyrazole-5-carbaldehyde is sourced from PubChem (CID 105422977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).