1-(2-chloro-4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazole-3-carbaldehyde

C18H14ClFN2O2 — CID 148889092

IUPAC1-(2-chloro-4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazole-3-carbaldehyde
SMILESCOc1ccc(Cc2cc(C=O)nn2-c2ccc(F)cc2Cl)cc1
InChIInChI=1S/C18H14ClFN2O2/c1-24-16-5-2-12(3-6-16)8-15-10-14(11-23)21-22(15)18-7-4-13(20)9-17(18)19/h2-7,9-11H,8H2,1H3
InChIKeyPEOCVYQQWOGDBW-UHFFFAOYSA-N
MW344.77 g/mol
LogP4.08
Rot. Bonds5

About 1-(2-chloro-4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazole-3-carbaldehyde

1-(2-chloro-4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazole-3-carbaldehyde (PubChem CID 148889092) has the molecular formula C18H14ClFN2O2 and a molecular weight of 344.77 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazole-3-carbaldehyde.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazole-3-carbaldehyde
PubChem CID148889092
Molecular FormulaC18H14ClFN2O2
Molecular Weight344.77 g/mol
Exact Mass344.07
IUPAC Name1-(2-chloro-4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazole-3-carbaldehyde
SMILESCOc1ccc(Cc2cc(C=O)nn2-c2ccc(F)cc2Cl)cc1
InChIInChI=1S/C18H14ClFN2O2/c1-24-16-5-2-12(3-6-16)8-15-10-14(11-23)21-22(15)18-7-4-13(20)9-17(18)19/h2-7,9-11H,8H2,1H3
InChIKeyPEOCVYQQWOGDBW-UHFFFAOYSA-N
XLogP4.08
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.77
LogP ≤ 54.08
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-(2-chlorophenyl)-5-(4-methoxyphenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 10002504
1-(2-chlorophenyl)-4-fluoro-5-(4-methoxyphenyl)-N-piperidin-1-ylpyrazole-3-carboxamide
CID 11004488
1-(2-Chloro-4-fluorophenyl)-4-cyano-5-(4-methoxyphenyl)-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide
CID 25266087
1-(4-Chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole-4-carbaldehyde
CID 3821203
1-(3-Chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole-4-carboxaldehyde
CID 3845708
1-(3-Chlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carboxylic acid
CID 24271184
1-(4-chlorophenyl)-5-(4-methoxyphenyl)-1H-pyrazole-3-carboxylic acid
CID 24271185
1-(4-chlorophenyl)-5-(4-methoxyphenyl)-N-methylpyrazole-3-carboxamide
CID 164622929
(E)-1-[1-(4-chlorophenyl)-3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-5-methylpyrazol-4-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 72725134
1-(4-Fluoro-phenyl)-7-(4-methoxy-benzyl)-4,5,6,7-tetrahydro-1H-indazole-3-carbaldehyde
CID 15230092
1-(4-chlorophenyl)-N-methyl-5-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
CID 164615323
1-(4-chlorophenyl)-N-hydroxy-5-[4-(2-methylpropoxy)phenyl]pyrazole-3-carboxamide
CID 177647570

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazole-3-carbaldehyde?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazole-3-carbaldehyde (CID 148889092) is 1-(2-chloro-4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazole-3-carbaldehyde.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazole-3-carbaldehyde?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazole-3-carbaldehyde is COc1ccc(Cc2cc(C=O)nn2-c2ccc(F)cc2Cl)cc1.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazole-3-carbaldehyde?
The InChIKey is PEOCVYQQWOGDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O2/c1-24-16-5-2-12(3-6-16)8-15-10-14(11-23)21-22(15)18-7-4-13(20)9-17(18)19/h2-7,9-11H,8H2,1H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazole-3-carbaldehyde?
1-(2-chloro-4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazole-3-carbaldehyde has a molecular weight of 344.77 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazole-3-carbaldehyde is sourced from PubChem (CID 148889092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).