2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide

C17H16Cl3N5O — CID 19525282

IUPAC2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide
SMILESCc1nn(CC(=O)Nc2ccn(Cc3c(Cl)cccc3Cl)n2)c(C)c1Cl
InChIInChI=1S/C17H16Cl3N5O/c1-10-17(20)11(2)25(22-10)9-16(26)21-15-6-7-24(23-15)8-12-13(18)4-3-5-14(12)19/h3-7H,8-9H2,1-2H3,(H,21,23,26)
InChIKeyKTOFJAVWMAHZIR-UHFFFAOYSA-N
MW412.71 g/mol
LogP4.34
Rot. Bonds5

About 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide (PubChem CID 19525282) has the molecular formula C17H16Cl3N5O and a molecular weight of 412.71 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide
PubChem CID19525282
Molecular FormulaC17H16Cl3N5O
Molecular Weight412.71 g/mol
Exact Mass411.04
IUPAC Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide
SMILESCc1nn(CC(=O)Nc2ccn(Cc3c(Cl)cccc3Cl)n2)c(C)c1Cl
InChIInChI=1S/C17H16Cl3N5O/c1-10-17(20)11(2)25(22-10)9-16(26)21-15-6-7-24(23-15)8-12-13(18)4-3-5-14(12)19/h3-7H,8-9H2,1-2H3,(H,21,23,26)
InChIKeyKTOFJAVWMAHZIR-UHFFFAOYSA-N
XLogP4.34
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.71
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19520105
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19285724
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19285441
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-oxopropanamide
CID 19407145
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 19525787
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide
CID 19557865
2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19526870
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-2-[3-methyl-4-(4-methylphenyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19485340
3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19285483
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 19337696
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 1247534
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19345388

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide (CID 19525282) is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide is Cc1nn(CC(=O)Nc2ccn(Cc3c(Cl)cccc3Cl)n2)c(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide?
The InChIKey is KTOFJAVWMAHZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl3N5O/c1-10-17(20)11(2)25(22-10)9-16(26)21-15-6-7-24(23-15)8-12-13(18)4-3-5-14(12)19/h3-7H,8-9H2,1-2H3,(H,21,23,26).
What are the key properties of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide?
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide has a molecular weight of 412.71 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 19525282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).