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

C21H22Cl2N4O — CID 6918856

IUPAC2-(2,4-dichlorophenyl)-3-phenyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
SMILESO=C(NN1CCCCC1)C1=NN(c2ccc(Cl)cc2Cl)C(c2ccccc2)C1
InChIInChI=1S/C21H22Cl2N4O/c22-16-9-10-19(17(23)13-16)27-20(15-7-3-1-4-8-15)14-18(24-27)21(28)25-26-11-5-2-6-12-26/h1,3-4,7-10,13,20H,2,5-6,11-12,14H2,(H,25,28)
InChIKeyIAMSOYSVSFMFLR-UHFFFAOYSA-N
MW417.34 g/mol
LogP4.82
Rot. Bonds4

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

2-(2,4-dichlorophenyl)-3-phenyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide (PubChem CID 6918856) has the molecular formula C21H22Cl2N4O and a molecular weight of 417.34 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-3-phenyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-3-phenyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
PubChem CID6918856
Molecular FormulaC21H22Cl2N4O
Molecular Weight417.34 g/mol
Exact Mass416.12
IUPAC Name2-(2,4-dichlorophenyl)-3-phenyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
SMILESO=C(NN1CCCCC1)C1=NN(c2ccc(Cl)cc2Cl)C(c2ccccc2)C1
InChIInChI=1S/C21H22Cl2N4O/c22-16-9-10-19(17(23)13-16)27-20(15-7-3-1-4-8-15)14-18(24-27)21(28)25-26-11-5-2-6-12-26/h1,3-4,7-10,13,20H,2,5-6,11-12,14H2,(H,25,28)
InChIKeyIAMSOYSVSFMFLR-UHFFFAOYSA-N
XLogP4.82
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.34
LogP ≤ 54.82
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-phenyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-3-phenyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide (CID 6918856) is 2-(2,4-dichlorophenyl)-3-phenyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-3-phenyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-3-phenyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide is O=C(NN1CCCCC1)C1=NN(c2ccc(Cl)cc2Cl)C(c2ccccc2)C1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-3-phenyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is IAMSOYSVSFMFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N4O/c22-16-9-10-19(17(23)13-16)27-20(15-7-3-1-4-8-15)14-18(24-27)21(28)25-26-11-5-2-6-12-26/h1,3-4,7-10,13,20H,2,5-6,11-12,14H2,(H,25,28).
What are the key properties of 2-(2,4-dichlorophenyl)-3-phenyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide?
2-(2,4-dichlorophenyl)-3-phenyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 417.34 g/mol, XLogP of 4.82, 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-phenyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 6918856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).