4-chloro-3-(4-methoxyphenyl)-1H-pyrazole-5-carbaldehyde

C11H9ClN2O2 — CID 83912160

IUPAC4-chloro-3-(4-methoxyphenyl)-1H-pyrazole-5-carbaldehyde
SMILESCOc1ccc(-c2n[nH]c(C=O)c2Cl)cc1
InChIInChI=1S/C11H9ClN2O2/c1-16-8-4-2-7(3-5-8)11-10(12)9(6-15)13-14-11/h2-6H,1H3,(H,13,14)
InChIKeyWMCDAUFGMKHKIF-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.55
Rot. Bonds3

About 4-chloro-3-(4-methoxyphenyl)-1H-pyrazole-5-carbaldehyde

4-chloro-3-(4-methoxyphenyl)-1H-pyrazole-5-carbaldehyde (PubChem CID 83912160) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is 4-chloro-3-(4-methoxyphenyl)-1H-pyrazole-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-3-(4-methoxyphenyl)-1H-pyrazole-5-carbaldehyde
PubChem CID83912160
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name4-chloro-3-(4-methoxyphenyl)-1H-pyrazole-5-carbaldehyde
SMILESCOc1ccc(-c2n[nH]c(C=O)c2Cl)cc1
InChIInChI=1S/C11H9ClN2O2/c1-16-8-4-2-7(3-5-8)11-10(12)9(6-15)13-14-11/h2-6H,1H3,(H,13,14)
InChIKeyWMCDAUFGMKHKIF-UHFFFAOYSA-N
XLogP2.55
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.55
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

4,5-bis(4-methoxyphenyl)-2H-triazole
CID 24807682
4-chloro-3-(3-hydroxyphenyl)-1H-pyrazole-5-carbaldehyde
CID 84687952
2-chloro-4-(4-methoxyphenyl)pyridine-3-carbaldehyde
CID 164894115
4,5-dichloro-3-(4-methoxyphenyl)-1,2-oxazole
CID 131867696
3-(4-methoxyphenyl)-4-phenyl-1H-pyridazin-6-one
CID 18759983
5-chloro-4-(4-methoxyphenyl)-2-methyl-1H-imidazole
CID 54002462
2-chloro-4-(4-methoxyphenyl)-5-methyl-1H-imidazole
CID 105480004
4,5-dichloro-3-(3-methoxyphenyl)-1H-pyrazole
CID 141358223
[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanamine
CID 54851145
2-(4-fluorophenyl)-6-(4-methoxyphenyl)pyridine-4-carbaldehyde
CID 131955075
2-chloro-4,5-bis(4-methoxyphenyl)-1H-imidazole;hydrochloride
CID 13394256
2,3-bis(4-methoxyphenyl)-5,6-dimethylpyrazine
CID 14100167

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(4-methoxyphenyl)-1H-pyrazole-5-carbaldehyde?
The IUPAC name of 4-chloro-3-(4-methoxyphenyl)-1H-pyrazole-5-carbaldehyde (CID 83912160) is 4-chloro-3-(4-methoxyphenyl)-1H-pyrazole-5-carbaldehyde.
What is the SMILES notation for 4-chloro-3-(4-methoxyphenyl)-1H-pyrazole-5-carbaldehyde?
The canonical SMILES for 4-chloro-3-(4-methoxyphenyl)-1H-pyrazole-5-carbaldehyde is COc1ccc(-c2n[nH]c(C=O)c2Cl)cc1.
What is the InChIKey of 4-chloro-3-(4-methoxyphenyl)-1H-pyrazole-5-carbaldehyde?
The InChIKey is WMCDAUFGMKHKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c1-16-8-4-2-7(3-5-8)11-10(12)9(6-15)13-14-11/h2-6H,1H3,(H,13,14).
What are the key properties of 4-chloro-3-(4-methoxyphenyl)-1H-pyrazole-5-carbaldehyde?
4-chloro-3-(4-methoxyphenyl)-1H-pyrazole-5-carbaldehyde has a molecular weight of 236.66 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(4-methoxyphenyl)-1H-pyrazole-5-carbaldehyde is sourced from PubChem (CID 83912160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).