4-chloro-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C16H11Cl3F3N5O — CID 19481630

IUPAC4-chloro-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)c(Cl)c1C(=O)Nc1nn(Cc2ccccc2Cl)cc1Cl
InChIInChI=1S/C16H11Cl3F3N5O/c1-26-12(11(19)13(24-26)16(20,21)22)15(28)23-14-10(18)7-27(25-14)6-8-4-2-3-5-9(8)17/h2-5,7H,6H2,1H3,(H,23,25,28)
InChIKeyRWRYLTKKUIIZSF-UHFFFAOYSA-N
MW452.65 g/mol
LogP4.90
Rot. Bonds4

About 4-chloro-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

4-chloro-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 19481630) has the molecular formula C16H11Cl3F3N5O and a molecular weight of 452.65 g/mol. Its IUPAC name is 4-chloro-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID19481630
Molecular FormulaC16H11Cl3F3N5O
Molecular Weight452.65 g/mol
Exact Mass451.00
IUPAC Name4-chloro-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)c(Cl)c1C(=O)Nc1nn(Cc2ccccc2Cl)cc1Cl
InChIInChI=1S/C16H11Cl3F3N5O/c1-26-12(11(19)13(24-26)16(20,21)22)15(28)23-14-10(18)7-27(25-14)6-8-4-2-3-5-9(8)17/h2-5,7H,6H2,1H3,(H,23,25,28)
InChIKeyRWRYLTKKUIIZSF-UHFFFAOYSA-N
XLogP4.90
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.65
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 19344959
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267965
4-chloro-1-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481638
4-chloro-N-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazole-5-carboxamide
CID 19477019
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,6-dimethoxybenzamide
CID 19344949
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-fluorobenzamide
CID 19287808
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]butanamide
CID 19344988
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-chloro-3-methylpyrazol-1-yl)acetamide
CID 19521057
N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19532035
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474329
N-(1-benzyl-4-chloropyrazol-3-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267707
3-(4-bromo-3-methylpyrazol-1-yl)-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19565666

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 19481630) is 4-chloro-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is Cn1nc(C(F)(F)F)c(Cl)c1C(=O)Nc1nn(Cc2ccccc2Cl)cc1Cl.
What is the InChIKey of 4-chloro-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is RWRYLTKKUIIZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl3F3N5O/c1-26-12(11(19)13(24-26)16(20,21)22)15(28)23-14-10(18)7-27(25-14)6-8-4-2-3-5-9(8)17/h2-5,7H,6H2,1H3,(H,23,25,28).
What are the key properties of 4-chloro-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
4-chloro-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 452.65 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 19481630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).