2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxamide

C16H12Cl2FN3O — CID 71161115

IUPAC2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxamide
SMILESNC(=O)C1=NN(c2ccc(Cl)cc2Cl)C(c2ccc(F)cc2)C1
InChIInChI=1S/C16H12Cl2FN3O/c17-10-3-6-14(12(18)7-10)22-15(8-13(21-22)16(20)23)9-1-4-11(19)5-2-9/h1-7,15H,8H2,(H2,20,23)
InChIKeyHJJOVMIDONVBBP-UHFFFAOYSA-N
MW352.20 g/mol
LogP3.93
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxamide

2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxamide (PubChem CID 71161115) has the molecular formula C16H12Cl2FN3O and a molecular weight of 352.20 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxamide
PubChem CID71161115
Molecular FormulaC16H12Cl2FN3O
Molecular Weight352.20 g/mol
Exact Mass351.03
IUPAC Name2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxamide
SMILESNC(=O)C1=NN(c2ccc(Cl)cc2Cl)C(c2ccc(F)cc2)C1
InChIInChI=1S/C16H12Cl2FN3O/c17-10-3-6-14(12(18)7-10)22-15(8-13(21-22)16(20)23)9-1-4-11(19)5-2-9/h1-7,15H,8H2,(H2,20,23)
InChIKeyHJJOVMIDONVBBP-UHFFFAOYSA-N
XLogP3.93
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.20
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxamide (CID 71161115) is 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxamide is NC(=O)C1=NN(c2ccc(Cl)cc2Cl)C(c2ccc(F)cc2)C1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is HJJOVMIDONVBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2FN3O/c17-10-3-6-14(12(18)7-10)22-15(8-13(21-22)16(20)23)9-1-4-11(19)5-2-9/h1-7,15H,8H2,(H2,20,23).
What are the key properties of 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxamide?
2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 352.20 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 71161115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).