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

C24H25Cl2N7O2 — CID 91434707

IUPAC1-(2,4-dichlorophenyl)-4-methyl-5-(4-propoxyphenyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide
SMILESCCCOc1ccc(-c2c(C)c(C(=O)NCCCc3nn[nH]n3)nn2-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C24H25Cl2N7O2/c1-3-13-35-18-9-6-16(7-10-18)23-15(2)22(24(34)27-12-4-5-21-28-31-32-29-21)30-33(23)20-11-8-17(25)14-19(20)26/h6-11,14H,3-5,12-13H2,1-2H3,(H,27,34)(H,28,29,31,32)
InChIKeyZVKOZTRVXQACPX-UHFFFAOYSA-N
MW514.42 g/mol
LogP4.82
Rot. Bonds10

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

1-(2,4-dichlorophenyl)-4-methyl-5-(4-propoxyphenyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide (PubChem CID 91434707) has the molecular formula C24H25Cl2N7O2 and a molecular weight of 514.42 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-4-methyl-5-(4-propoxyphenyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-4-methyl-5-(4-propoxyphenyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide
PubChem CID91434707
Molecular FormulaC24H25Cl2N7O2
Molecular Weight514.42 g/mol
Exact Mass513.14
IUPAC Name1-(2,4-dichlorophenyl)-4-methyl-5-(4-propoxyphenyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide
SMILESCCCOc1ccc(-c2c(C)c(C(=O)NCCCc3nn[nH]n3)nn2-c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C24H25Cl2N7O2/c1-3-13-35-18-9-6-16(7-10-18)23-15(2)22(24(34)27-12-4-5-21-28-31-32-29-21)30-33(23)20-11-8-17(25)14-19(20)26/h6-11,14H,3-5,12-13H2,1-2H3,(H,27,34)(H,28,29,31,32)
InChIKeyZVKOZTRVXQACPX-UHFFFAOYSA-N
XLogP4.82
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.42
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-4-methyl-5-(4-propoxyphenyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(2,4-dichlorophenyl)-4-methyl-5-(4-propoxyphenyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide (CID 91434707) is 1-(2,4-dichlorophenyl)-4-methyl-5-(4-propoxyphenyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-4-methyl-5-(4-propoxyphenyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(2,4-dichlorophenyl)-4-methyl-5-(4-propoxyphenyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide is CCCOc1ccc(-c2c(C)c(C(=O)NCCCc3nn[nH]n3)nn2-c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-4-methyl-5-(4-propoxyphenyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide?
The InChIKey is ZVKOZTRVXQACPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2N7O2/c1-3-13-35-18-9-6-16(7-10-18)23-15(2)22(24(34)27-12-4-5-21-28-31-32-29-21)30-33(23)20-11-8-17(25)14-19(20)26/h6-11,14H,3-5,12-13H2,1-2H3,(H,27,34)(H,28,29,31,32).
What are the key properties of 1-(2,4-dichlorophenyl)-4-methyl-5-(4-propoxyphenyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide?
1-(2,4-dichlorophenyl)-4-methyl-5-(4-propoxyphenyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide has a molecular weight of 514.42 g/mol, XLogP of 4.82, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-4-methyl-5-(4-propoxyphenyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide is sourced from PubChem (CID 91434707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).