N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

C15H9Cl3F3N5O — CID 19508240

IUPACN-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1nn(Cc2ccc(Cl)c(Cl)c2)cc1Cl)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C15H9Cl3F3N5O/c16-8-2-1-7(3-9(8)17)5-26-6-10(18)13(25-26)22-14(27)11-4-12(24-23-11)15(19,20)21/h1-4,6H,5H2,(H,23,24)(H,22,25,27)
InChIKeyYDZWRKXLEFAPNO-UHFFFAOYSA-N
MW438.62 g/mol
LogP4.89
Rot. Bonds4

About N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (PubChem CID 19508240) has the molecular formula C15H9Cl3F3N5O and a molecular weight of 438.62 g/mol. Its IUPAC name is N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
PubChem CID19508240
Molecular FormulaC15H9Cl3F3N5O
Molecular Weight438.62 g/mol
Exact Mass436.98
IUPAC NameN-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(Nc1nn(Cc2ccc(Cl)c(Cl)c2)cc1Cl)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C15H9Cl3F3N5O/c16-8-2-1-7(3-9(8)17)5-26-6-10(18)13(25-26)22-14(27)11-4-12(24-23-11)15(19,20)21/h1-4,6H,5H2,(H,23,24)(H,22,25,27)
InChIKeyYDZWRKXLEFAPNO-UHFFFAOYSA-N
XLogP4.89
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.62
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19513655
N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
CID 19262280
4-bromo-N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19398624
N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 19474899
N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 19284590
N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 19398786
N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267982
N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19398815
N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,2,2-trifluoroacetamide
CID 19345119
N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 19509493
N-(1-benzyl-4-chloropyrazol-3-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267707
2,4-dichloro-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19407398

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (CID 19508240) is N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is O=C(Nc1nn(Cc2ccc(Cl)c(Cl)c2)cc1Cl)c1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is YDZWRKXLEFAPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl3F3N5O/c16-8-2-1-7(3-9(8)17)5-26-6-10(18)13(25-26)22-14(27)11-4-12(24-23-11)15(19,20)21/h1-4,6H,5H2,(H,23,24)(H,22,25,27).
What are the key properties of N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 438.62 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 19508240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).