N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(difluoromethyl)pyrazole-3-carboxamide

C15H10Cl3F2N5O — CID 19268594

IUPACN-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(difluoromethyl)pyrazole-3-carboxamide
SMILESO=C(Nc1nn(Cc2ccc(Cl)cc2Cl)cc1Cl)c1ccn(C(F)F)n1
InChIInChI=1S/C15H10Cl3F2N5O/c16-9-2-1-8(10(17)5-9)6-24-7-11(18)13(23-24)21-14(26)12-3-4-25(22-12)15(19)20/h1-5,7,15H,6H2,(H,21,23,26)
InChIKeyJZDLHNDZRPSJAD-UHFFFAOYSA-N
MW420.63 g/mol
LogP4.74
Rot. Bonds5

About N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(difluoromethyl)pyrazole-3-carboxamide

N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(difluoromethyl)pyrazole-3-carboxamide (PubChem CID 19268594) has the molecular formula C15H10Cl3F2N5O and a molecular weight of 420.63 g/mol. Its IUPAC name is N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(difluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(difluoromethyl)pyrazole-3-carboxamide
PubChem CID19268594
Molecular FormulaC15H10Cl3F2N5O
Molecular Weight420.63 g/mol
Exact Mass418.99
IUPAC NameN-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(difluoromethyl)pyrazole-3-carboxamide
SMILESO=C(Nc1nn(Cc2ccc(Cl)cc2Cl)cc1Cl)c1ccn(C(F)F)n1
InChIInChI=1S/C15H10Cl3F2N5O/c16-9-2-1-8(10(17)5-9)6-24-7-11(18)13(23-24)21-14(26)12-3-4-25(22-12)15(19)20/h1-5,7,15H,6H2,(H,21,23,26)
InChIKeyJZDLHNDZRPSJAD-UHFFFAOYSA-N
XLogP4.74
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.63
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(difluoromethyl)pyrazole-3-carboxamide
CID 19268582
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-3-carboxamide
CID 19262561
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-[(4-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19280303
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-[(3-chloro-4-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19268777
N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-(difluoromethyl)pyrazole-3-carboxamide
CID 19268457
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19271176
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,2,2-trifluoroacetamide
CID 19396848
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-[(3-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19276566
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19265237
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-phenylbenzamide
CID 19396909
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide
CID 19275095
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-methyl-4-nitropyrazole-3-carboxamide
CID 19263971

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(difluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(difluoromethyl)pyrazole-3-carboxamide (CID 19268594) is N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(difluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(difluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(difluoromethyl)pyrazole-3-carboxamide is O=C(Nc1nn(Cc2ccc(Cl)cc2Cl)cc1Cl)c1ccn(C(F)F)n1.
What is the InChIKey of N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(difluoromethyl)pyrazole-3-carboxamide?
The InChIKey is JZDLHNDZRPSJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3F2N5O/c16-9-2-1-8(10(17)5-9)6-24-7-11(18)13(23-24)21-14(26)12-3-4-25(22-12)15(19)20/h1-5,7,15H,6H2,(H,21,23,26).
What are the key properties of N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(difluoromethyl)pyrazole-3-carboxamide?
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(difluoromethyl)pyrazole-3-carboxamide has a molecular weight of 420.63 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(difluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19268594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).