5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-ethyl-N-[2-(1-methyltetrazol-5-yl)propan-2-yl]pyrazole-3-carboxamide

C23H22Cl3N7O — CID 56665058

IUPAC5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-ethyl-N-[2-(1-methyltetrazol-5-yl)propan-2-yl]pyrazole-3-carboxamide
SMILESCCc1c(C(=O)NC(C)(C)c2nnnn2C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H22Cl3N7O/c1-5-16-19(21(34)27-23(2,3)22-28-30-31-32(22)4)29-33(18-11-10-15(25)12-17(18)26)20(16)13-6-8-14(24)9-7-13/h6-12H,5H2,1-4H3,(H,27,34)
InChIKeyBPZSKHBMNJRFEM-UHFFFAOYSA-N
MW518.84 g/mol
LogP5.25
Rot. Bonds6

About 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-ethyl-N-[2-(1-methyltetrazol-5-yl)propan-2-yl]pyrazole-3-carboxamide

5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-ethyl-N-[2-(1-methyltetrazol-5-yl)propan-2-yl]pyrazole-3-carboxamide (PubChem CID 56665058) has the molecular formula C23H22Cl3N7O and a molecular weight of 518.84 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-ethyl-N-[2-(1-methyltetrazol-5-yl)propan-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-ethyl-N-[2-(1-methyltetrazol-5-yl)propan-2-yl]pyrazole-3-carboxamide
PubChem CID56665058
Molecular FormulaC23H22Cl3N7O
Molecular Weight518.84 g/mol
Exact Mass517.10
IUPAC Name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-ethyl-N-[2-(1-methyltetrazol-5-yl)propan-2-yl]pyrazole-3-carboxamide
SMILESCCc1c(C(=O)NC(C)(C)c2nnnn2C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H22Cl3N7O/c1-5-16-19(21(34)27-23(2,3)22-28-30-31-32(22)4)29-33(18-11-10-15(25)12-17(18)26)20(16)13-6-8-14(24)9-7-13/h6-12H,5H2,1-4H3,(H,27,34)
InChIKeyBPZSKHBMNJRFEM-UHFFFAOYSA-N
XLogP5.25
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.84
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-ethyl-N-[2-(1-methyltetrazol-5-yl)propan-2-yl]pyrazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-ethyl-N-[2-(1-methyltetrazol-5-yl)propan-2-yl]pyrazole-3-carboxamide (CID 56665058) is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-ethyl-N-[2-(1-methyltetrazol-5-yl)propan-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-ethyl-N-[2-(1-methyltetrazol-5-yl)propan-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-ethyl-N-[2-(1-methyltetrazol-5-yl)propan-2-yl]pyrazole-3-carboxamide is CCc1c(C(=O)NC(C)(C)c2nnnn2C)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-ethyl-N-[2-(1-methyltetrazol-5-yl)propan-2-yl]pyrazole-3-carboxamide?
The InChIKey is BPZSKHBMNJRFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl3N7O/c1-5-16-19(21(34)27-23(2,3)22-28-30-31-32(22)4)29-33(18-11-10-15(25)12-17(18)26)20(16)13-6-8-14(24)9-7-13/h6-12H,5H2,1-4H3,(H,27,34).
What are the key properties of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-ethyl-N-[2-(1-methyltetrazol-5-yl)propan-2-yl]pyrazole-3-carboxamide?
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-ethyl-N-[2-(1-methyltetrazol-5-yl)propan-2-yl]pyrazole-3-carboxamide has a molecular weight of 518.84 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-ethyl-N-[2-(1-methyltetrazol-5-yl)propan-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 56665058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).