N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-(difluoromethyl)pyrazole-3-carboxamide

C16H13Cl2F2N5O — CID 19393072

IUPACN-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-(difluoromethyl)pyrazole-3-carboxamide
SMILESCc1cc(NC(=O)c2ccn(C(F)F)n2)nn1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H13Cl2F2N5O/c1-9-6-14(21-15(26)13-4-5-24(22-13)16(19)20)23-25(9)8-10-2-3-11(17)12(18)7-10/h2-7,16H,8H2,1H3,(H,21,23,26)
InChIKeyHEWWARZWEYHBIM-UHFFFAOYSA-N
MW400.22 g/mol
LogP4.39
Rot. Bonds5

About N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-(difluoromethyl)pyrazole-3-carboxamide

N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-(difluoromethyl)pyrazole-3-carboxamide (PubChem CID 19393072) has the molecular formula C16H13Cl2F2N5O and a molecular weight of 400.22 g/mol. Its IUPAC name is N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-(difluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-(difluoromethyl)pyrazole-3-carboxamide
PubChem CID19393072
Molecular FormulaC16H13Cl2F2N5O
Molecular Weight400.22 g/mol
Exact Mass399.05
IUPAC NameN-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-(difluoromethyl)pyrazole-3-carboxamide
SMILESCc1cc(NC(=O)c2ccn(C(F)F)n2)nn1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H13Cl2F2N5O/c1-9-6-14(21-15(26)13-4-5-24(22-13)16(19)20)23-25(9)8-10-2-3-11(17)12(18)7-10/h2-7,16H,8H2,1H3,(H,21,23,26)
InChIKeyHEWWARZWEYHBIM-UHFFFAOYSA-N
XLogP4.39
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.22
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
CID 19392903
N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-(difluoromethoxy)benzamide
CID 19393006
N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(difluoromethoxy)benzamide
CID 19393007
N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-iodobenzamide
CID 19392905
5-bromo-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(difluoromethoxy)benzamide
CID 19393012
2-(4-chlorophenoxy)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]acetamide
CID 19392908
5-chloro-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-methoxybenzamide
CID 19393131
N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
CID 19411385
N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-[(4-methoxyphenoxy)methyl]benzamide
CID 19393000
N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-oxopropanamide
CID 19284125
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
CID 19393020
N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-(5-methyl-3-nitropyrazol-1-yl)butanamide
CID 19393170

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-(difluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-(difluoromethyl)pyrazole-3-carboxamide (CID 19393072) is N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-(difluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-(difluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-(difluoromethyl)pyrazole-3-carboxamide is Cc1cc(NC(=O)c2ccn(C(F)F)n2)nn1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-(difluoromethyl)pyrazole-3-carboxamide?
The InChIKey is HEWWARZWEYHBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2F2N5O/c1-9-6-14(21-15(26)13-4-5-24(22-13)16(19)20)23-25(9)8-10-2-3-11(17)12(18)7-10/h2-7,16H,8H2,1H3,(H,21,23,26).
What are the key properties of N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-(difluoromethyl)pyrazole-3-carboxamide?
N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-(difluoromethyl)pyrazole-3-carboxamide has a molecular weight of 400.22 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-(difluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19393072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).