5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-3-carbaldehyde

C17H13ClN2O2 — CID 54077138

IUPAC5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-3-carbaldehyde
SMILESCOc1ccc(-n2nc(C=O)cc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H13ClN2O2/c1-22-16-8-6-15(7-9-16)20-17(10-14(11-21)19-20)12-2-4-13(18)5-3-12/h2-11H,1H3
InChIKeyMKMRAGGQZIPZHN-UHFFFAOYSA-N
MW312.76 g/mol
LogP4.01
Rot. Bonds4

About 5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-3-carbaldehyde

5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-3-carbaldehyde (PubChem CID 54077138) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-3-carbaldehyde.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-3-carbaldehyde
PubChem CID54077138
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC Name5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-3-carbaldehyde
SMILESCOc1ccc(-n2nc(C=O)cc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H13ClN2O2/c1-22-16-8-6-15(7-9-16)20-17(10-14(11-21)19-20)12-2-4-13(18)5-3-12/h2-11H,1H3
InChIKeyMKMRAGGQZIPZHN-UHFFFAOYSA-N
XLogP4.01
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 54.01
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

[1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]methanamine
CID 82071935
1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carbonitrile
CID 94962094
3-formyl-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid
CID 18177264
5-(4-methoxyphenyl)-1-phenyl-3-[(E)-2-phenylethenyl]pyrazole
CID 11057297
ethyl 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoate
CID 11222871
2-[4-[3-chloro-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethanamine
CID 21090779
3-[4-[2-(4-chlorophenyl)ethynyl]phenyl]-5-(4-methoxyphenyl)-1-phenylpyrazole
CID 91273356
(E)-2-(3-chlorophenyl)-3-[5-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]prop-2-enoic acid
CID 22171108
3-methoxy-1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazole
CID 173202359
3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-hydroxy-N,2-dimethylpropanamide
CID 15002765
N-[4-[3-cyano-5-(4-methoxyphenyl)pyrazol-1-yl]phenyl]formamide
CID 19886103
2-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-hydroxy-N-methylpyridine-3-carboxamide
CID 15002774

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-3-carbaldehyde?
The IUPAC name of 5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-3-carbaldehyde (CID 54077138) is 5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-3-carbaldehyde.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-3-carbaldehyde?
The canonical SMILES for 5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-3-carbaldehyde is COc1ccc(-n2nc(C=O)cc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-3-carbaldehyde?
The InChIKey is MKMRAGGQZIPZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c1-22-16-8-6-15(7-9-16)20-17(10-14(11-21)19-20)12-2-4-13(18)5-3-12/h2-11H,1H3.
What are the key properties of 5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-3-carbaldehyde?
5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-3-carbaldehyde has a molecular weight of 312.76 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-3-carbaldehyde is sourced from PubChem (CID 54077138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).