3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-pyrrolidin-1-yl-3,4-dihydropyrazole-5-carboxamide

C20H19Cl3N4O — CID 23730118

IUPAC3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-pyrrolidin-1-yl-3,4-dihydropyrazole-5-carboxamide
SMILESO=C(NN1CCCC1)C1=NN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H19Cl3N4O/c21-14-5-3-13(4-6-14)19-12-17(20(28)25-26-9-1-2-10-26)24-27(19)18-8-7-15(22)11-16(18)23/h3-8,11,19H,1-2,9-10,12H2,(H,25,28)
InChIKeyYDAPNFKWICZYRZ-UHFFFAOYSA-N
MW437.76 g/mol
LogP5.08
Rot. Bonds4

About 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-pyrrolidin-1-yl-3,4-dihydropyrazole-5-carboxamide

3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-pyrrolidin-1-yl-3,4-dihydropyrazole-5-carboxamide (PubChem CID 23730118) has the molecular formula C20H19Cl3N4O and a molecular weight of 437.76 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-pyrrolidin-1-yl-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-pyrrolidin-1-yl-3,4-dihydropyrazole-5-carboxamide
PubChem CID23730118
Molecular FormulaC20H19Cl3N4O
Molecular Weight437.76 g/mol
Exact Mass436.06
IUPAC Name3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-pyrrolidin-1-yl-3,4-dihydropyrazole-5-carboxamide
SMILESO=C(NN1CCCC1)C1=NN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H19Cl3N4O/c21-14-5-3-13(4-6-14)19-12-17(20(28)25-26-9-1-2-10-26)24-27(19)18-8-7-15(22)11-16(18)23/h3-8,11,19H,1-2,9-10,12H2,(H,25,28)
InChIKeyYDAPNFKWICZYRZ-UHFFFAOYSA-N
XLogP5.08
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.76
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-pyrrolidin-1-yl-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-pyrrolidin-1-yl-3,4-dihydropyrazole-5-carboxamide (CID 23730118) is 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-pyrrolidin-1-yl-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-pyrrolidin-1-yl-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-pyrrolidin-1-yl-3,4-dihydropyrazole-5-carboxamide is O=C(NN1CCCC1)C1=NN(c2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)C1.
What is the InChIKey of 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-pyrrolidin-1-yl-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is YDAPNFKWICZYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl3N4O/c21-14-5-3-13(4-6-14)19-12-17(20(28)25-26-9-1-2-10-26)24-27(19)18-8-7-15(22)11-16(18)23/h3-8,11,19H,1-2,9-10,12H2,(H,25,28).
What are the key properties of 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-pyrrolidin-1-yl-3,4-dihydropyrazole-5-carboxamide?
3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-pyrrolidin-1-yl-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 437.76 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-pyrrolidin-1-yl-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 23730118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).