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

C20H19Cl2FN4O — CID 58326380

IUPAC2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-N-pyrrolidin-1-yl-3,4-dihydropyrazole-5-carboxamide
SMILESO=C(NN1CCCC1)C1=NN(c2ccc(Cl)cc2Cl)C(c2ccc(F)cc2)C1
InChIInChI=1S/C20H19Cl2FN4O/c21-14-5-8-18(16(22)11-14)27-19(13-3-6-15(23)7-4-13)12-17(24-27)20(28)25-26-9-1-2-10-26/h3-8,11,19H,1-2,9-10,12H2,(H,25,28)
InChIKeyGLFMRJZAZLINDS-UHFFFAOYSA-N
MW421.30 g/mol
LogP4.57
Rot. Bonds4

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

2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-N-pyrrolidin-1-yl-3,4-dihydropyrazole-5-carboxamide (PubChem CID 58326380) has the molecular formula C20H19Cl2FN4O and a molecular weight of 421.30 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-N-pyrrolidin-1-yl-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-N-pyrrolidin-1-yl-3,4-dihydropyrazole-5-carboxamide
PubChem CID58326380
Molecular FormulaC20H19Cl2FN4O
Molecular Weight421.30 g/mol
Exact Mass420.09
IUPAC Name2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-N-pyrrolidin-1-yl-3,4-dihydropyrazole-5-carboxamide
SMILESO=C(NN1CCCC1)C1=NN(c2ccc(Cl)cc2Cl)C(c2ccc(F)cc2)C1
InChIInChI=1S/C20H19Cl2FN4O/c21-14-5-8-18(16(22)11-14)27-19(13-3-6-15(23)7-4-13)12-17(24-27)20(28)25-26-9-1-2-10-26/h3-8,11,19H,1-2,9-10,12H2,(H,25,28)
InChIKeyGLFMRJZAZLINDS-UHFFFAOYSA-N
XLogP4.57
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.30
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-N-pyrrolidin-1-yl-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-N-pyrrolidin-1-yl-3,4-dihydropyrazole-5-carboxamide (CID 58326380) is 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-N-pyrrolidin-1-yl-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-N-pyrrolidin-1-yl-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-N-pyrrolidin-1-yl-3,4-dihydropyrazole-5-carboxamide is O=C(NN1CCCC1)C1=NN(c2ccc(Cl)cc2Cl)C(c2ccc(F)cc2)C1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-N-pyrrolidin-1-yl-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is GLFMRJZAZLINDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2FN4O/c21-14-5-8-18(16(22)11-14)27-19(13-3-6-15(23)7-4-13)12-17(24-27)20(28)25-26-9-1-2-10-26/h3-8,11,19H,1-2,9-10,12H2,(H,25,28).
What are the key properties of 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-N-pyrrolidin-1-yl-3,4-dihydropyrazole-5-carboxamide?
2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-N-pyrrolidin-1-yl-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 421.30 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-N-pyrrolidin-1-yl-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 58326380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).