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

C23H25Cl2FN4O — CID 15986812

IUPAC2-(2,4-dichlorophenyl)-4-ethyl-3-(4-fluorophenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
SMILESCCC1C(C(=O)NN2CCCCC2)=NN(c2ccc(Cl)cc2Cl)C1c1ccc(F)cc1
InChIInChI=1S/C23H25Cl2FN4O/c1-2-18-21(23(31)28-29-12-4-3-5-13-29)27-30(20-11-8-16(24)14-19(20)25)22(18)15-6-9-17(26)10-7-15/h6-11,14,18,22H,2-5,12-13H2,1H3,(H,28,31)
InChIKeyLRQZJEPKORZBPK-UHFFFAOYSA-N
MW463.38 g/mol
LogP5.59
Rot. Bonds5

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

2-(2,4-dichlorophenyl)-4-ethyl-3-(4-fluorophenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide (PubChem CID 15986812) has the molecular formula C23H25Cl2FN4O and a molecular weight of 463.38 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-4-ethyl-3-(4-fluorophenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-4-ethyl-3-(4-fluorophenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
PubChem CID15986812
Molecular FormulaC23H25Cl2FN4O
Molecular Weight463.38 g/mol
Exact Mass462.14
IUPAC Name2-(2,4-dichlorophenyl)-4-ethyl-3-(4-fluorophenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
SMILESCCC1C(C(=O)NN2CCCCC2)=NN(c2ccc(Cl)cc2Cl)C1c1ccc(F)cc1
InChIInChI=1S/C23H25Cl2FN4O/c1-2-18-21(23(31)28-29-12-4-3-5-13-29)27-30(20-11-8-16(24)14-19(20)25)22(18)15-6-9-17(26)10-7-15/h6-11,14,18,22H,2-5,12-13H2,1H3,(H,28,31)
InChIKeyLRQZJEPKORZBPK-UHFFFAOYSA-N
XLogP5.59
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.38
LogP ≤ 55.59
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)-4-ethyl-3-(4-fluorophenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-4-ethyl-3-(4-fluorophenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide (CID 15986812) is 2-(2,4-dichlorophenyl)-4-ethyl-3-(4-fluorophenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-4-ethyl-3-(4-fluorophenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-4-ethyl-3-(4-fluorophenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide is CCC1C(C(=O)NN2CCCCC2)=NN(c2ccc(Cl)cc2Cl)C1c1ccc(F)cc1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-4-ethyl-3-(4-fluorophenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is LRQZJEPKORZBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2FN4O/c1-2-18-21(23(31)28-29-12-4-3-5-13-29)27-30(20-11-8-16(24)14-19(20)25)22(18)15-6-9-17(26)10-7-15/h6-11,14,18,22H,2-5,12-13H2,1H3,(H,28,31).
What are the key properties of 2-(2,4-dichlorophenyl)-4-ethyl-3-(4-fluorophenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide?
2-(2,4-dichlorophenyl)-4-ethyl-3-(4-fluorophenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 463.38 g/mol, XLogP of 5.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-4-ethyl-3-(4-fluorophenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 15986812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).