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

C26H20Cl3N7O2 — CID 69229537

IUPAC5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-4-(2H-tetrazol-5-ylmethyl)pyrazole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2Cc2nn[nH]n2)cc1
InChIInChI=1S/C26H20Cl3N7O2/c1-38-19-9-2-15(3-10-19)14-30-26(37)24-20(13-23-31-34-35-32-23)25(16-4-6-17(27)7-5-16)36(33-24)22-11-8-18(28)12-21(22)29/h2-12H,13-14H2,1H3,(H,30,37)(H,31,32,34,35)
InChIKeyXCRUFHZPZSSEHR-UHFFFAOYSA-N
MW568.85 g/mol
LogP5.54
Rot. Bonds8

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

5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-4-(2H-tetrazol-5-ylmethyl)pyrazole-3-carboxamide (PubChem CID 69229537) has the molecular formula C26H20Cl3N7O2 and a molecular weight of 568.85 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-4-(2H-tetrazol-5-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-4-(2H-tetrazol-5-ylmethyl)pyrazole-3-carboxamide
PubChem CID69229537
Molecular FormulaC26H20Cl3N7O2
Molecular Weight568.85 g/mol
Exact Mass567.07
IUPAC Name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-4-(2H-tetrazol-5-ylmethyl)pyrazole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2Cc2nn[nH]n2)cc1
InChIInChI=1S/C26H20Cl3N7O2/c1-38-19-9-2-15(3-10-19)14-30-26(37)24-20(13-23-31-34-35-32-23)25(16-4-6-17(27)7-5-16)36(33-24)22-11-8-18(28)12-21(22)29/h2-12H,13-14H2,1H3,(H,30,37)(H,31,32,34,35)
InChIKeyXCRUFHZPZSSEHR-UHFFFAOYSA-N
XLogP5.54
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.85
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-4-(2H-tetrazol-5-ylmethyl)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-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-4-(2H-tetrazol-5-ylmethyl)pyrazole-3-carboxamide (CID 69229537) is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-4-(2H-tetrazol-5-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-4-(2H-tetrazol-5-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-4-(2H-tetrazol-5-ylmethyl)pyrazole-3-carboxamide is COc1ccc(CNC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2Cc2nn[nH]n2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-4-(2H-tetrazol-5-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is XCRUFHZPZSSEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20Cl3N7O2/c1-38-19-9-2-15(3-10-19)14-30-26(37)24-20(13-23-31-34-35-32-23)25(16-4-6-17(27)7-5-16)36(33-24)22-11-8-18(28)12-21(22)29/h2-12H,13-14H2,1H3,(H,30,37)(H,31,32,34,35).
What are the key properties of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-4-(2H-tetrazol-5-ylmethyl)pyrazole-3-carboxamide?
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-4-(2H-tetrazol-5-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 568.85 g/mol, XLogP of 5.54, 8 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-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 69229537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).