1-[5-(3-chloro-5-fluorophenyl)-1-(3-chlorophenyl)pyrazole-3-carbonyl]imidazolidine-4-carbaldehyde

C20H15Cl2FN4O2 — CID 174610658

IUPAC1-[5-(3-chloro-5-fluorophenyl)-1-(3-chlorophenyl)pyrazole-3-carbonyl]imidazolidine-4-carbaldehyde
SMILESO=CC1CN(C(=O)c2cc(-c3cc(F)cc(Cl)c3)n(-c3cccc(Cl)c3)n2)CN1
InChIInChI=1S/C20H15Cl2FN4O2/c21-13-2-1-3-17(7-13)27-19(12-4-14(22)6-15(23)5-12)8-18(25-27)20(29)26-9-16(10-28)24-11-26/h1-8,10,16,24H,9,11H2
InChIKeyQZXRDMMPBOYOKS-UHFFFAOYSA-N
MW433.27 g/mol
LogP3.56
Rot. Bonds4

About 1-[5-(3-chloro-5-fluorophenyl)-1-(3-chlorophenyl)pyrazole-3-carbonyl]imidazolidine-4-carbaldehyde

1-[5-(3-chloro-5-fluorophenyl)-1-(3-chlorophenyl)pyrazole-3-carbonyl]imidazolidine-4-carbaldehyde (PubChem CID 174610658) has the molecular formula C20H15Cl2FN4O2 and a molecular weight of 433.27 g/mol. Its IUPAC name is 1-[5-(3-chloro-5-fluorophenyl)-1-(3-chlorophenyl)pyrazole-3-carbonyl]imidazolidine-4-carbaldehyde.

Molecular Properties

Compound Name1-[5-(3-chloro-5-fluorophenyl)-1-(3-chlorophenyl)pyrazole-3-carbonyl]imidazolidine-4-carbaldehyde
PubChem CID174610658
Molecular FormulaC20H15Cl2FN4O2
Molecular Weight433.27 g/mol
Exact Mass432.06
IUPAC Name1-[5-(3-chloro-5-fluorophenyl)-1-(3-chlorophenyl)pyrazole-3-carbonyl]imidazolidine-4-carbaldehyde
SMILESO=CC1CN(C(=O)c2cc(-c3cc(F)cc(Cl)c3)n(-c3cccc(Cl)c3)n2)CN1
InChIInChI=1S/C20H15Cl2FN4O2/c21-13-2-1-3-17(7-13)27-19(12-4-14(22)6-15(23)5-12)8-18(25-27)20(29)26-9-16(10-28)24-11-26/h1-8,10,16,24H,9,11H2
InChIKeyQZXRDMMPBOYOKS-UHFFFAOYSA-N
XLogP3.56
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.27
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[5-(3-chloro-5-fluorophenyl)-1-(3-chlorophenyl)pyrazole-3-carbonyl]imidazolidine-4-carbaldehyde with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-chloro-5-fluorophenyl)-1-(3-chlorophenyl)pyrazole-3-carbonyl]imidazolidine-4-carbaldehyde?
The IUPAC name of 1-[5-(3-chloro-5-fluorophenyl)-1-(3-chlorophenyl)pyrazole-3-carbonyl]imidazolidine-4-carbaldehyde (CID 174610658) is 1-[5-(3-chloro-5-fluorophenyl)-1-(3-chlorophenyl)pyrazole-3-carbonyl]imidazolidine-4-carbaldehyde.
What is the SMILES notation for 1-[5-(3-chloro-5-fluorophenyl)-1-(3-chlorophenyl)pyrazole-3-carbonyl]imidazolidine-4-carbaldehyde?
The canonical SMILES for 1-[5-(3-chloro-5-fluorophenyl)-1-(3-chlorophenyl)pyrazole-3-carbonyl]imidazolidine-4-carbaldehyde is O=CC1CN(C(=O)c2cc(-c3cc(F)cc(Cl)c3)n(-c3cccc(Cl)c3)n2)CN1.
What is the InChIKey of 1-[5-(3-chloro-5-fluorophenyl)-1-(3-chlorophenyl)pyrazole-3-carbonyl]imidazolidine-4-carbaldehyde?
The InChIKey is QZXRDMMPBOYOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2FN4O2/c21-13-2-1-3-17(7-13)27-19(12-4-14(22)6-15(23)5-12)8-18(25-27)20(29)26-9-16(10-28)24-11-26/h1-8,10,16,24H,9,11H2.
What are the key properties of 1-[5-(3-chloro-5-fluorophenyl)-1-(3-chlorophenyl)pyrazole-3-carbonyl]imidazolidine-4-carbaldehyde?
1-[5-(3-chloro-5-fluorophenyl)-1-(3-chlorophenyl)pyrazole-3-carbonyl]imidazolidine-4-carbaldehyde has a molecular weight of 433.27 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-chloro-5-fluorophenyl)-1-(3-chlorophenyl)pyrazole-3-carbonyl]imidazolidine-4-carbaldehyde is sourced from PubChem (CID 174610658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).