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

C19H18Cl2N4O — CID 164621166

IUPAC1,5-bis(4-chlorophenyl)-N-[2-(methylamino)ethyl]pyrazole-3-carboxamide
SMILESCNCCNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H18Cl2N4O/c1-22-10-11-23-19(26)17-12-18(13-2-4-14(20)5-3-13)25(24-17)16-8-6-15(21)7-9-16/h2-9,12,22H,10-11H2,1H3,(H,23,26)
InChIKeyTXAPFURQJOHSIF-UHFFFAOYSA-N
MW389.29 g/mol
LogP3.80
Rot. Bonds6

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

1,5-bis(4-chlorophenyl)-N-[2-(methylamino)ethyl]pyrazole-3-carboxamide (PubChem CID 164621166) has the molecular formula C19H18Cl2N4O and a molecular weight of 389.29 g/mol. Its IUPAC name is 1,5-bis(4-chlorophenyl)-N-[2-(methylamino)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1,5-bis(4-chlorophenyl)-N-[2-(methylamino)ethyl]pyrazole-3-carboxamide
PubChem CID164621166
Molecular FormulaC19H18Cl2N4O
Molecular Weight389.29 g/mol
Exact Mass388.09
IUPAC Name1,5-bis(4-chlorophenyl)-N-[2-(methylamino)ethyl]pyrazole-3-carboxamide
SMILESCNCCNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H18Cl2N4O/c1-22-10-11-23-19(26)17-12-18(13-2-4-14(20)5-3-13)25(24-17)16-8-6-15(21)7-9-16/h2-9,12,22H,10-11H2,1H3,(H,23,26)
InChIKeyTXAPFURQJOHSIF-UHFFFAOYSA-N
XLogP3.80
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 1,5-bis(4-chlorophenyl)-N-[2-(methylamino)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 1,5-bis(4-chlorophenyl)-N-[2-(methylamino)ethyl]pyrazole-3-carboxamide (CID 164621166) is 1,5-bis(4-chlorophenyl)-N-[2-(methylamino)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1,5-bis(4-chlorophenyl)-N-[2-(methylamino)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 1,5-bis(4-chlorophenyl)-N-[2-(methylamino)ethyl]pyrazole-3-carboxamide is CNCCNC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1,5-bis(4-chlorophenyl)-N-[2-(methylamino)ethyl]pyrazole-3-carboxamide?
The InChIKey is TXAPFURQJOHSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4O/c1-22-10-11-23-19(26)17-12-18(13-2-4-14(20)5-3-13)25(24-17)16-8-6-15(21)7-9-16/h2-9,12,22H,10-11H2,1H3,(H,23,26).
What are the key properties of 1,5-bis(4-chlorophenyl)-N-[2-(methylamino)ethyl]pyrazole-3-carboxamide?
1,5-bis(4-chlorophenyl)-N-[2-(methylamino)ethyl]pyrazole-3-carboxamide has a molecular weight of 389.29 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(4-chlorophenyl)-N-[2-(methylamino)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 164621166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).