N-(2-benzylpyrazol-3-yl)-3,4-dichlorobenzamide

C17H13Cl2N3O — CID 7589760

IUPACN-(2-benzylpyrazol-3-yl)-3,4-dichlorobenzamide
SMILESO=C(Nc1ccnn1Cc1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H13Cl2N3O/c18-14-7-6-13(10-15(14)19)17(23)21-16-8-9-20-22(16)11-12-4-2-1-3-5-12/h1-10H,11H2,(H,21,23)
InChIKeyFMQLAXCACNYMHH-UHFFFAOYSA-N
MW346.22 g/mol
LogP4.49
Rot. Bonds4

About N-(2-benzylpyrazol-3-yl)-3,4-dichlorobenzamide

N-(2-benzylpyrazol-3-yl)-3,4-dichlorobenzamide (PubChem CID 7589760) has the molecular formula C17H13Cl2N3O and a molecular weight of 346.22 g/mol. Its IUPAC name is N-(2-benzylpyrazol-3-yl)-3,4-dichlorobenzamide.

Molecular Properties

Compound NameN-(2-benzylpyrazol-3-yl)-3,4-dichlorobenzamide
PubChem CID7589760
Molecular FormulaC17H13Cl2N3O
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC NameN-(2-benzylpyrazol-3-yl)-3,4-dichlorobenzamide
SMILESO=C(Nc1ccnn1Cc1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H13Cl2N3O/c18-14-7-6-13(10-15(14)19)17(23)21-16-8-9-20-22(16)11-12-4-2-1-3-5-12/h1-10H,11H2,(H,21,23)
InChIKeyFMQLAXCACNYMHH-UHFFFAOYSA-N
XLogP4.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-benzylpyrazol-3-yl)-4-iodobenzamide
CID 55359598
3-chloro-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 17464648
N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]naphthalene-2-carboxamide
CID 26725865
4-benzamido-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]benzamide
CID 43048740
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-chlorobenzamide
CID 7504732
N-(2-benzylpyrazol-3-yl)-2-iodobenzamide
CID 55359617
N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 46616697
N-(2-benzylpyrazol-3-yl)quinoline-2-carboxamide
CID 9118345
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-chloropyridine-4-carboxamide
CID 32696325
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methylbenzamide
CID 18193320
N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]-4-chlorobenzamide
CID 55452348
N-(2-benzylpyrazol-3-yl)-2-phenoxypyridine-3-carboxamide
CID 8890850

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylpyrazol-3-yl)-3,4-dichlorobenzamide?
The IUPAC name of N-(2-benzylpyrazol-3-yl)-3,4-dichlorobenzamide (CID 7589760) is N-(2-benzylpyrazol-3-yl)-3,4-dichlorobenzamide.
What is the SMILES notation for N-(2-benzylpyrazol-3-yl)-3,4-dichlorobenzamide?
The canonical SMILES for N-(2-benzylpyrazol-3-yl)-3,4-dichlorobenzamide is O=C(Nc1ccnn1Cc1ccccc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(2-benzylpyrazol-3-yl)-3,4-dichlorobenzamide?
The InChIKey is FMQLAXCACNYMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O/c18-14-7-6-13(10-15(14)19)17(23)21-16-8-9-20-22(16)11-12-4-2-1-3-5-12/h1-10H,11H2,(H,21,23).
What are the key properties of N-(2-benzylpyrazol-3-yl)-3,4-dichlorobenzamide?
N-(2-benzylpyrazol-3-yl)-3,4-dichlorobenzamide has a molecular weight of 346.22 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylpyrazol-3-yl)-3,4-dichlorobenzamide is sourced from PubChem (CID 7589760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).