5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-4-(2H-tetrazol-5-yl)pyrazole-3-carboxamide

C25H18Cl3N7O2 — CID 69228666

IUPAC5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-4-(2H-tetrazol-5-yl)pyrazole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2-c2nn[nH]n2)cc1
InChIInChI=1S/C25H18Cl3N7O2/c1-37-18-9-2-14(3-10-18)13-29-25(36)22-21(24-30-33-34-31-24)23(15-4-6-16(26)7-5-15)35(32-22)20-11-8-17(27)12-19(20)28/h2-12H,13H2,1H3,(H,29,36)(H,30,31,33,34)
InChIKeyYJYXAJNGQKRHER-UHFFFAOYSA-N
MW554.83 g/mol
LogP5.62
Rot. Bonds7

About 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-4-(2H-tetrazol-5-yl)pyrazole-3-carboxamide

5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-4-(2H-tetrazol-5-yl)pyrazole-3-carboxamide (PubChem CID 69228666) has the molecular formula C25H18Cl3N7O2 and a molecular weight of 554.83 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-4-(2H-tetrazol-5-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-4-(2H-tetrazol-5-yl)pyrazole-3-carboxamide
PubChem CID69228666
Molecular FormulaC25H18Cl3N7O2
Molecular Weight554.83 g/mol
Exact Mass553.06
IUPAC Name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-4-(2H-tetrazol-5-yl)pyrazole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2-c2nn[nH]n2)cc1
InChIInChI=1S/C25H18Cl3N7O2/c1-37-18-9-2-14(3-10-18)13-29-25(36)22-21(24-30-33-34-31-24)23(15-4-6-16(26)7-5-15)35(32-22)20-11-8-17(27)12-19(20)28/h2-12H,13H2,1H3,(H,29,36)(H,30,31,33,34)
InChIKeyYJYXAJNGQKRHER-UHFFFAOYSA-N
XLogP5.62
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.83
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-4-(2H-tetrazol-5-yl)pyrazole-3-carboxamide 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 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-4-(2H-tetrazol-5-yl)pyrazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-4-(2H-tetrazol-5-yl)pyrazole-3-carboxamide (CID 69228666) is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-4-(2H-tetrazol-5-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-4-(2H-tetrazol-5-yl)pyrazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-4-(2H-tetrazol-5-yl)pyrazole-3-carboxamide is COc1ccc(CNC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2-c2nn[nH]n2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-4-(2H-tetrazol-5-yl)pyrazole-3-carboxamide?
The InChIKey is YJYXAJNGQKRHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl3N7O2/c1-37-18-9-2-14(3-10-18)13-29-25(36)22-21(24-30-33-34-31-24)23(15-4-6-16(26)7-5-15)35(32-22)20-11-8-17(27)12-19(20)28/h2-12H,13H2,1H3,(H,29,36)(H,30,31,33,34).
What are the key properties of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-4-(2H-tetrazol-5-yl)pyrazole-3-carboxamide?
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-4-(2H-tetrazol-5-yl)pyrazole-3-carboxamide has a molecular weight of 554.83 g/mol, XLogP of 5.62, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-4-(2H-tetrazol-5-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 69228666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).