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

C21H21Cl2FN4O2 — CID 15986906

IUPAC2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-4-hydroxy-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
SMILESO=C(NN1CCCCC1)C1=NN(c2ccc(Cl)cc2Cl)C(c2ccc(F)cc2)C1O
InChIInChI=1S/C21H21Cl2FN4O2/c22-14-6-9-17(16(23)12-14)28-19(13-4-7-15(24)8-5-13)20(29)18(25-28)21(30)26-27-10-2-1-3-11-27/h4-9,12,19-20,29H,1-3,10-11H2,(H,26,30)
InChIKeyKFTRAVXVQALYPK-UHFFFAOYSA-N
MW451.33 g/mol
LogP3.93
Rot. Bonds4

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

2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-4-hydroxy-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide (PubChem CID 15986906) has the molecular formula C21H21Cl2FN4O2 and a molecular weight of 451.33 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-4-hydroxy-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-4-hydroxy-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
PubChem CID15986906
Molecular FormulaC21H21Cl2FN4O2
Molecular Weight451.33 g/mol
Exact Mass450.10
IUPAC Name2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-4-hydroxy-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
SMILESO=C(NN1CCCCC1)C1=NN(c2ccc(Cl)cc2Cl)C(c2ccc(F)cc2)C1O
InChIInChI=1S/C21H21Cl2FN4O2/c22-14-6-9-17(16(23)12-14)28-19(13-4-7-15(24)8-5-13)20(29)18(25-28)21(30)26-27-10-2-1-3-11-27/h4-9,12,19-20,29H,1-3,10-11H2,(H,26,30)
InChIKeyKFTRAVXVQALYPK-UHFFFAOYSA-N
XLogP3.93
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.33
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-4-hydroxy-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-4-hydroxy-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide (CID 15986906) is 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-4-hydroxy-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-4-hydroxy-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-4-hydroxy-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide is O=C(NN1CCCCC1)C1=NN(c2ccc(Cl)cc2Cl)C(c2ccc(F)cc2)C1O.
What is the InChIKey of 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-4-hydroxy-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is KFTRAVXVQALYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2FN4O2/c22-14-6-9-17(16(23)12-14)28-19(13-4-7-15(24)8-5-13)20(29)18(25-28)21(30)26-27-10-2-1-3-11-27/h4-9,12,19-20,29H,1-3,10-11H2,(H,26,30).
What are the key properties of 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-4-hydroxy-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide?
2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-4-hydroxy-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 451.33 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-4-hydroxy-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 15986906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).