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

C23H25Cl2FN4O2 — CID 15986907

IUPAC2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-4-(2-hydroxyethyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
SMILESO=C(NN1CCCCC1)C1=NN(c2ccc(Cl)cc2Cl)C(c2ccc(F)cc2)C1CCO
InChIInChI=1S/C23H25Cl2FN4O2/c24-16-6-9-20(19(25)14-16)30-22(15-4-7-17(26)8-5-15)18(10-13-31)21(27-30)23(32)28-29-11-2-1-3-12-29/h4-9,14,18,22,31H,1-3,10-13H2,(H,28,32)
InChIKeySQTBUPURGPXNMG-UHFFFAOYSA-N
MW479.38 g/mol
LogP4.57
Rot. Bonds6

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

2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-4-(2-hydroxyethyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide (PubChem CID 15986907) has the molecular formula C23H25Cl2FN4O2 and a molecular weight of 479.38 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-4-(2-hydroxyethyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-4-(2-hydroxyethyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
PubChem CID15986907
Molecular FormulaC23H25Cl2FN4O2
Molecular Weight479.38 g/mol
Exact Mass478.13
IUPAC Name2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-4-(2-hydroxyethyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
SMILESO=C(NN1CCCCC1)C1=NN(c2ccc(Cl)cc2Cl)C(c2ccc(F)cc2)C1CCO
InChIInChI=1S/C23H25Cl2FN4O2/c24-16-6-9-20(19(25)14-16)30-22(15-4-7-17(26)8-5-15)18(10-13-31)21(27-30)23(32)28-29-11-2-1-3-12-29/h4-9,14,18,22,31H,1-3,10-13H2,(H,28,32)
InChIKeySQTBUPURGPXNMG-UHFFFAOYSA-N
XLogP4.57
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.38
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-4-(2-hydroxyethyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-4-(2-hydroxyethyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-4-(2-hydroxyethyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide (CID 15986907) is 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-4-(2-hydroxyethyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-4-(2-hydroxyethyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-4-(2-hydroxyethyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide is O=C(NN1CCCCC1)C1=NN(c2ccc(Cl)cc2Cl)C(c2ccc(F)cc2)C1CCO.
What is the InChIKey of 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-4-(2-hydroxyethyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is SQTBUPURGPXNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2FN4O2/c24-16-6-9-20(19(25)14-16)30-22(15-4-7-17(26)8-5-15)18(10-13-31)21(27-30)23(32)28-29-11-2-1-3-12-29/h4-9,14,18,22,31H,1-3,10-13H2,(H,28,32).
What are the key properties of 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-4-(2-hydroxyethyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide?
2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-4-(2-hydroxyethyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 479.38 g/mol, XLogP of 4.57, 6 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-(2-hydroxyethyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 15986907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).