1,5-bis(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]pyrazole-3-carboxamide

C20H20Cl2N4O — CID 164622282

IUPAC1,5-bis(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]pyrazole-3-carboxamide
SMILESCN(C)CCNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C20H20Cl2N4O/c1-25(2)12-11-23-20(27)18-13-19(14-3-5-15(21)6-4-14)26(24-18)17-9-7-16(22)8-10-17/h3-10,13H,11-12H2,1-2H3,(H,23,27)
InChIKeyMHOIZZGPCLULPO-UHFFFAOYSA-N
MW403.31 g/mol
LogP4.14
Rot. Bonds6

About 1,5-bis(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]pyrazole-3-carboxamide

1,5-bis(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]pyrazole-3-carboxamide (PubChem CID 164622282) has the molecular formula C20H20Cl2N4O and a molecular weight of 403.31 g/mol. Its IUPAC name is 1,5-bis(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1,5-bis(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]pyrazole-3-carboxamide
PubChem CID164622282
Molecular FormulaC20H20Cl2N4O
Molecular Weight403.31 g/mol
Exact Mass402.10
IUPAC Name1,5-bis(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]pyrazole-3-carboxamide
SMILESCN(C)CCNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C20H20Cl2N4O/c1-25(2)12-11-23-20(27)18-13-19(14-3-5-15(21)6-4-14)26(24-18)17-9-7-16(22)8-10-17/h3-10,13H,11-12H2,1-2H3,(H,23,27)
InChIKeyMHOIZZGPCLULPO-UHFFFAOYSA-N
XLogP4.14
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,5-bis(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 1,5-bis(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]pyrazole-3-carboxamide (CID 164622282) is 1,5-bis(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1,5-bis(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 1,5-bis(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]pyrazole-3-carboxamide is CN(C)CCNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1,5-bis(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]pyrazole-3-carboxamide?
The InChIKey is MHOIZZGPCLULPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N4O/c1-25(2)12-11-23-20(27)18-13-19(14-3-5-15(21)6-4-14)26(24-18)17-9-7-16(22)8-10-17/h3-10,13H,11-12H2,1-2H3,(H,23,27).
What are the key properties of 1,5-bis(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]pyrazole-3-carboxamide?
1,5-bis(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]pyrazole-3-carboxamide has a molecular weight of 403.31 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 164622282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).