1-(2,4-dichlorophenyl)-5-[(3-fluoro-4-methoxyphenyl)methyl]pyrazole-3-carbaldehyde

C18H13Cl2FN2O2 — CID 148665345

IUPAC1-(2,4-dichlorophenyl)-5-[(3-fluoro-4-methoxyphenyl)methyl]pyrazole-3-carbaldehyde
SMILESCOc1ccc(Cc2cc(C=O)nn2-c2ccc(Cl)cc2Cl)cc1F
InChIInChI=1S/C18H13Cl2FN2O2/c1-25-18-5-2-11(7-16(18)21)6-14-9-13(10-24)22-23(14)17-4-3-12(19)8-15(17)20/h2-5,7-10H,6H2,1H3
InChIKeyNOPRZUQBFSSJJH-UHFFFAOYSA-N
MW379.22 g/mol
LogP4.73
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-5-[(3-fluoro-4-methoxyphenyl)methyl]pyrazole-3-carbaldehyde

1-(2,4-dichlorophenyl)-5-[(3-fluoro-4-methoxyphenyl)methyl]pyrazole-3-carbaldehyde (PubChem CID 148665345) has the molecular formula C18H13Cl2FN2O2 and a molecular weight of 379.22 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-5-[(3-fluoro-4-methoxyphenyl)methyl]pyrazole-3-carbaldehyde.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-5-[(3-fluoro-4-methoxyphenyl)methyl]pyrazole-3-carbaldehyde
PubChem CID148665345
Molecular FormulaC18H13Cl2FN2O2
Molecular Weight379.22 g/mol
Exact Mass378.03
IUPAC Name1-(2,4-dichlorophenyl)-5-[(3-fluoro-4-methoxyphenyl)methyl]pyrazole-3-carbaldehyde
SMILESCOc1ccc(Cc2cc(C=O)nn2-c2ccc(Cl)cc2Cl)cc1F
InChIInChI=1S/C18H13Cl2FN2O2/c1-25-18-5-2-11(7-16(18)21)6-14-9-13(10-24)22-23(14)17-4-3-12(19)8-15(17)20/h2-5,7-10H,6H2,1H3
InChIKeyNOPRZUQBFSSJJH-UHFFFAOYSA-N
XLogP4.73
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.22
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 1-(2,4-dichlorophenyl)-5-[(3-fluoro-4-methoxyphenyl)methyl]pyrazole-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(piperidin-1-yl)-5-(4-methoxyphenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide
CID 11037861
N-(azepan-1-yl)-1-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-4-methylpyrazole-3-carboxamide
CID 11027128
1-(4-Chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole-4-carbaldehyde
CID 3821203
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-(2,4-dichlorophenyl)-4-fluoro-5-(4-methoxyphenyl)-N-piperidin-1-ylpyrazole-3-carboxamide
CID 76316704
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
3-(2,4-Dichloro-5-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 3769052
Ethyl 1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carboxylate
CID 15002724

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-5-[(3-fluoro-4-methoxyphenyl)methyl]pyrazole-3-carbaldehyde?
The IUPAC name of 1-(2,4-dichlorophenyl)-5-[(3-fluoro-4-methoxyphenyl)methyl]pyrazole-3-carbaldehyde (CID 148665345) is 1-(2,4-dichlorophenyl)-5-[(3-fluoro-4-methoxyphenyl)methyl]pyrazole-3-carbaldehyde.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-5-[(3-fluoro-4-methoxyphenyl)methyl]pyrazole-3-carbaldehyde?
The canonical SMILES for 1-(2,4-dichlorophenyl)-5-[(3-fluoro-4-methoxyphenyl)methyl]pyrazole-3-carbaldehyde is COc1ccc(Cc2cc(C=O)nn2-c2ccc(Cl)cc2Cl)cc1F.
What is the InChIKey of 1-(2,4-dichlorophenyl)-5-[(3-fluoro-4-methoxyphenyl)methyl]pyrazole-3-carbaldehyde?
The InChIKey is NOPRZUQBFSSJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2FN2O2/c1-25-18-5-2-11(7-16(18)21)6-14-9-13(10-24)22-23(14)17-4-3-12(19)8-15(17)20/h2-5,7-10H,6H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-5-[(3-fluoro-4-methoxyphenyl)methyl]pyrazole-3-carbaldehyde?
1-(2,4-dichlorophenyl)-5-[(3-fluoro-4-methoxyphenyl)methyl]pyrazole-3-carbaldehyde has a molecular weight of 379.22 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-5-[(3-fluoro-4-methoxyphenyl)methyl]pyrazole-3-carbaldehyde is sourced from PubChem (CID 148665345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).