N-(2-chloro-5-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide

C16H10Cl2FN3O — CID 46920191

IUPACN-(2-chloro-5-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cc(F)ccc1Cl)c1cc(-c2cccc(Cl)c2)n[nH]1
InChIInChI=1S/C16H10Cl2FN3O/c17-10-3-1-2-9(6-10)13-8-15(22-21-13)16(23)20-14-7-11(19)4-5-12(14)18/h1-8H,(H,20,23)(H,21,22)
InChIKeyDGQKTETUHLHABG-UHFFFAOYSA-N
MW350.18 g/mol
LogP4.77
Rot. Bonds3

About N-(2-chloro-5-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide

N-(2-chloro-5-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 46920191) has the molecular formula C16H10Cl2FN3O and a molecular weight of 350.18 g/mol. Its IUPAC name is N-(2-chloro-5-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID46920191
Molecular FormulaC16H10Cl2FN3O
Molecular Weight350.18 g/mol
Exact Mass349.02
IUPAC NameN-(2-chloro-5-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cc(F)ccc1Cl)c1cc(-c2cccc(Cl)c2)n[nH]1
InChIInChI=1S/C16H10Cl2FN3O/c17-10-3-1-2-9(6-10)13-8-15(22-21-13)16(23)20-14-7-11(19)4-5-12(14)18/h1-8H,(H,20,23)(H,21,22)
InChIKeyDGQKTETUHLHABG-UHFFFAOYSA-N
XLogP4.77
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.18
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2-chloro-5-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide (CID 46920191) is N-(2-chloro-5-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-chloro-5-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2-chloro-5-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide is O=C(Nc1cc(F)ccc1Cl)c1cc(-c2cccc(Cl)c2)n[nH]1.
What is the InChIKey of N-(2-chloro-5-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is DGQKTETUHLHABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2FN3O/c17-10-3-1-2-9(6-10)13-8-15(22-21-13)16(23)20-14-7-11(19)4-5-12(14)18/h1-8H,(H,20,23)(H,21,22).
What are the key properties of N-(2-chloro-5-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide?
N-(2-chloro-5-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 350.18 g/mol, XLogP of 4.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46920191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).