N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2,3-dichlorobenzamide

C20H19Cl2N3O — CID 46088066

IUPACN-(3-tert-butyl-1-phenylpyrazol-5-yl)-2,3-dichlorobenzamide
SMILESCC(C)(C)c1cc(NC(=O)c2cccc(Cl)c2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C20H19Cl2N3O/c1-20(2,3)16-12-17(25(24-16)13-8-5-4-6-9-13)23-19(26)14-10-7-11-15(21)18(14)22/h4-12H,1-3H3,(H,23,26)
InChIKeySGUUQHMJBJXLMU-UHFFFAOYSA-N
MW388.30 g/mol
LogP5.73
Rot. Bonds3

About N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2,3-dichlorobenzamide

N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2,3-dichlorobenzamide (PubChem CID 46088066) has the molecular formula C20H19Cl2N3O and a molecular weight of 388.30 g/mol. Its IUPAC name is N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2,3-dichlorobenzamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-phenylpyrazol-5-yl)-2,3-dichlorobenzamide
PubChem CID46088066
Molecular FormulaC20H19Cl2N3O
Molecular Weight388.30 g/mol
Exact Mass387.09
IUPAC NameN-(3-tert-butyl-1-phenylpyrazol-5-yl)-2,3-dichlorobenzamide
SMILESCC(C)(C)c1cc(NC(=O)c2cccc(Cl)c2Cl)n(-c2ccccc2)n1
InChIInChI=1S/C20H19Cl2N3O/c1-20(2,3)16-12-17(25(24-16)13-8-5-4-6-9-13)23-19(26)14-10-7-11-15(21)18(14)22/h4-12H,1-3H3,(H,23,26)
InChIKeySGUUQHMJBJXLMU-UHFFFAOYSA-N
XLogP5.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.30
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-methoxybenzamide
CID 42730468
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]naphthalene-1-carboxamide
CID 142696740
2-chloro-3-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 138993742
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-chloro-2,2-dimethylpropanamide
CID 42730449
N-(3-tert-butyl-1-phenylpyrazol-5-yl)furan-2-carboxamide
CID 2473696
5-[(2-chlorobenzoyl)amino]-1-phenylpyrazole-3-carboxylic acid
CID 23630922
N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-2,3-dichlorobenzamide
CID 55643391
N-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-2,4-difluorobenzamide
CID 46087955
(E)-N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(3-chlorophenyl)prop-2-enamide
CID 2473791
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-(3-chlorophenyl)prop-2-enamide
CID 5125643
1-[3-tert-butyl-1-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]-3-(2,3-dichlorophenyl)urea
CID 24968751
N-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]-2-(methylamino)acetamide
CID 119733627

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2,3-dichlorobenzamide?
The IUPAC name of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2,3-dichlorobenzamide (CID 46088066) is N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2,3-dichlorobenzamide.
What is the SMILES notation for N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2,3-dichlorobenzamide?
The canonical SMILES for N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2,3-dichlorobenzamide is CC(C)(C)c1cc(NC(=O)c2cccc(Cl)c2Cl)n(-c2ccccc2)n1.
What is the InChIKey of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2,3-dichlorobenzamide?
The InChIKey is SGUUQHMJBJXLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O/c1-20(2,3)16-12-17(25(24-16)13-8-5-4-6-9-13)23-19(26)14-10-7-11-15(21)18(14)22/h4-12H,1-3H3,(H,23,26).
What are the key properties of N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2,3-dichlorobenzamide?
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2,3-dichlorobenzamide has a molecular weight of 388.30 g/mol, XLogP of 5.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2,3-dichlorobenzamide is sourced from PubChem (CID 46088066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).