N-[2-(4-chlorophenyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide;ethane

C20H22ClN3O — CID 143363894

IUPACN-[2-(4-chlorophenyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide;ethane
SMILESCC.Cc1nn(C)cc1C(=O)Nc1ccccc1-c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O.C2H6/c1-12-16(11-22(2)21-12)18(23)20-17-6-4-3-5-15(17)13-7-9-14(19)10-8-13;1-2/h3-11H,1-2H3,(H,20,23);1-2H3
InChIKeyVVZYQKAYNPZSBE-UHFFFAOYSA-N
MW355.87 g/mol
LogP5.33
Rot. Bonds3

About N-[2-(4-chlorophenyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide;ethane

N-[2-(4-chlorophenyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide;ethane (PubChem CID 143363894) has the molecular formula C20H22ClN3O and a molecular weight of 355.87 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide;ethane.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide;ethane
PubChem CID143363894
Molecular FormulaC20H22ClN3O
Molecular Weight355.87 g/mol
Exact Mass355.15
IUPAC NameN-[2-(4-chlorophenyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide;ethane
SMILESCC.Cc1nn(C)cc1C(=O)Nc1ccccc1-c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O.C2H6/c1-12-16(11-22(2)21-12)18(23)20-17-6-4-3-5-15(17)13-7-9-14(19)10-8-13;1-2/h3-11H,1-2H3,(H,20,23);1-2H3
InChIKeyVVZYQKAYNPZSBE-UHFFFAOYSA-N
XLogP5.33
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.87
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dimethyl-N-[2-[4-(1-nitrosoethyl)phenyl]phenyl]pyrazole-4-carboxamide
CID 91318500
N-(2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285304
N-[2-(3,4-dichlorophenyl)phenyl]-3-iodo-1-methylpyrazole-4-carboxamide
CID 11454250
1,3-dimethyl-N-[2-[4-[(Z)-propoxyiminomethyl]phenyl]phenyl]pyrazole-4-carboxamide
CID 142109331
N-(2,4-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285316
N-(2,3-dichloro-4-fluoro-6-phenylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 123339665
3-(difluoromethyl)-N-[2-(4-iodophenyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 66920609
N-[2-(3-chloro-5-fluorophenyl)phenyl]-3-(fluoromethyl)-1-methylpyrazole-4-carboxamide
CID 69049578
3-[dichloro(fluoro)methyl]-N-[2-(3,4-dichlorophenyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 67374092
N-(2-ethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 42352848
N-(2,6-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 19474782
N-[2-(5-chloro-2-fluorophenyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 68915098

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide;ethane?
The IUPAC name of N-[2-(4-chlorophenyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide;ethane (CID 143363894) is N-[2-(4-chlorophenyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide;ethane.
What is the SMILES notation for N-[2-(4-chlorophenyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide;ethane?
The canonical SMILES for N-[2-(4-chlorophenyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide;ethane is CC.Cc1nn(C)cc1C(=O)Nc1ccccc1-c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide;ethane?
The InChIKey is VVZYQKAYNPZSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O.C2H6/c1-12-16(11-22(2)21-12)18(23)20-17-6-4-3-5-15(17)13-7-9-14(19)10-8-13;1-2/h3-11H,1-2H3,(H,20,23);1-2H3.
What are the key properties of N-[2-(4-chlorophenyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide;ethane?
N-[2-(4-chlorophenyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide;ethane has a molecular weight of 355.87 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide;ethane is sourced from PubChem (CID 143363894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).