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

C18H15ClN2O2 — CID 149478865

IUPAC1-(2-chlorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazole-3-carbaldehyde
SMILESCOc1ccc(Cc2cc(C=O)nn2-c2ccccc2Cl)cc1
InChIInChI=1S/C18H15ClN2O2/c1-23-16-8-6-13(7-9-16)10-15-11-14(12-22)20-21(15)18-5-3-2-4-17(18)19/h2-9,11-12H,10H2,1H3
InChIKeyZCVQXZHSTSEPAS-UHFFFAOYSA-N
MW326.78 g/mol
LogP3.94
Rot. Bonds5

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

1-(2-chlorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazole-3-carbaldehyde (PubChem CID 149478865) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazole-3-carbaldehyde.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazole-3-carbaldehyde
PubChem CID149478865
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name1-(2-chlorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazole-3-carbaldehyde
SMILESCOc1ccc(Cc2cc(C=O)nn2-c2ccccc2Cl)cc1
InChIInChI=1S/C18H15ClN2O2/c1-23-16-8-6-13(7-9-16)10-15-11-14(12-22)20-21(15)18-5-3-2-4-17(18)19/h2-9,11-12H,10H2,1H3
InChIKeyZCVQXZHSTSEPAS-UHFFFAOYSA-N
XLogP3.94
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.94
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-(2,4-dichlorophenyl)-5-[(3-methoxyphenyl)methyl]pyrazole-3-carbaldehyde
CID 147223869
5-ethyl-1-(2-hydroxyphenyl)pyrazole-3-carbaldehyde
CID 115029513
benzaldehyde;1-(2-chlorophenyl)-5-[(3-methoxyphenoxy)methyl]-3-(trifluoromethyl)pyrazole
CID 143695452
2-chloro-4-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 89247022
3-formyl-1-(4-methoxyphenyl)pyrazole-5-carboxylic acid
CID 18177264
5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-3-carbaldehyde
CID 54077138
1-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 42758626
2-(2-chlorophenyl)-5-methoxyindazole
CID 102305740
1-(2-chloro-5-methoxyphenyl)triazole-4-carbaldehyde
CID 66214619
4-[2-(4-methoxyphenyl)ethyl]benzaldehyde
CID 20510517
2-[(4-methoxyphenyl)methyl]benzotriazole
CID 3828598
methyl 1-benzyl-5-[(4-methoxyphenyl)methyl]pyrazole-3-carboxylate
CID 145427559

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazole-3-carbaldehyde?
The IUPAC name of 1-(2-chlorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazole-3-carbaldehyde (CID 149478865) is 1-(2-chlorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazole-3-carbaldehyde.
What is the SMILES notation for 1-(2-chlorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazole-3-carbaldehyde?
The canonical SMILES for 1-(2-chlorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazole-3-carbaldehyde is COc1ccc(Cc2cc(C=O)nn2-c2ccccc2Cl)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazole-3-carbaldehyde?
The InChIKey is ZCVQXZHSTSEPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-23-16-8-6-13(7-9-16)10-15-11-14(12-22)20-21(15)18-5-3-2-4-17(18)19/h2-9,11-12H,10H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazole-3-carbaldehyde?
1-(2-chlorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazole-3-carbaldehyde has a molecular weight of 326.78 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazole-3-carbaldehyde is sourced from PubChem (CID 149478865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).