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

C22H23Cl2FN4O — CID 15986811

IUPAC2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
SMILESCC1C(C(=O)NN2CCCCC2)=NN(c2ccc(Cl)cc2Cl)C1c1ccc(F)cc1
InChIInChI=1S/C22H23Cl2FN4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-7-16(23)13-18(19)24)21(14)15-5-8-17(25)9-6-15/h5-10,13-14,21H,2-4,11-12H2,1H3,(H,27,30)
InChIKeyLKXNQRLBFXPTNZ-UHFFFAOYSA-N
MW449.36 g/mol
LogP5.20
Rot. Bonds4

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

2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide (PubChem CID 15986811) has the molecular formula C22H23Cl2FN4O and a molecular weight of 449.36 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
PubChem CID15986811
Molecular FormulaC22H23Cl2FN4O
Molecular Weight449.36 g/mol
Exact Mass448.12
IUPAC Name2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
SMILESCC1C(C(=O)NN2CCCCC2)=NN(c2ccc(Cl)cc2Cl)C1c1ccc(F)cc1
InChIInChI=1S/C22H23Cl2FN4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-7-16(23)13-18(19)24)21(14)15-5-8-17(25)9-6-15/h5-10,13-14,21H,2-4,11-12H2,1H3,(H,27,30)
InChIKeyLKXNQRLBFXPTNZ-UHFFFAOYSA-N
XLogP5.20
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.36
LogP ≤ 55.20
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)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide (CID 15986811) is 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide is CC1C(C(=O)NN2CCCCC2)=NN(c2ccc(Cl)cc2Cl)C1c1ccc(F)cc1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is LKXNQRLBFXPTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2FN4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-7-16(23)13-18(19)24)21(14)15-5-8-17(25)9-6-15/h5-10,13-14,21H,2-4,11-12H2,1H3,(H,27,30).
What are the key properties of 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide?
2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 449.36 g/mol, XLogP of 5.20, 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)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 15986811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).