N-(1-benzylpyrazol-3-yl)-3-chlorobenzamide

C17H14ClN3O — CID 2991624

IUPACN-(1-benzylpyrazol-3-yl)-3-chlorobenzamide
SMILESO=C(Nc1ccn(Cc2ccccc2)n1)c1cccc(Cl)c1
InChIInChI=1S/C17H14ClN3O/c18-15-8-4-7-14(11-15)17(22)19-16-9-10-21(20-16)12-13-5-2-1-3-6-13/h1-11H,12H2,(H,19,20,22)
InChIKeyMVJNESPJXBDGPT-UHFFFAOYSA-N
MW311.77 g/mol
LogP3.84
Rot. Bonds4

About N-(1-benzylpyrazol-3-yl)-3-chlorobenzamide

N-(1-benzylpyrazol-3-yl)-3-chlorobenzamide (PubChem CID 2991624) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is N-(1-benzylpyrazol-3-yl)-3-chlorobenzamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-3-yl)-3-chlorobenzamide
PubChem CID2991624
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC NameN-(1-benzylpyrazol-3-yl)-3-chlorobenzamide
SMILESO=C(Nc1ccn(Cc2ccccc2)n1)c1cccc(Cl)c1
InChIInChI=1S/C17H14ClN3O/c18-15-8-4-7-14(11-15)17(22)19-16-9-10-21(20-16)12-13-5-2-1-3-6-13/h1-11H,12H2,(H,19,20,22)
InChIKeyMVJNESPJXBDGPT-UHFFFAOYSA-N
XLogP3.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpyrazol-3-yl)-3-methylbenzamide
CID 19286119
4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19403078
N-(1-benzylpyrazol-3-yl)-4-[(3-chlorophenoxy)methyl]benzamide
CID 19286274
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[(2-methoxyphenoxy)methyl]benzamide
CID 19403141
3-[(4-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19283686
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-phenylpropanamide
CID 19403070
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)benzamide
CID 19403194
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-4-nitrobenzamide
CID 19406942
3-[(2-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19283688
3-[(3-chlorophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19398867
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[(4-ethylphenoxy)methyl]benzamide
CID 19403127
N-(1-benzylpyrazol-3-yl)-4-ethylbenzamide
CID 19286300

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-3-yl)-3-chlorobenzamide?
The IUPAC name of N-(1-benzylpyrazol-3-yl)-3-chlorobenzamide (CID 2991624) is N-(1-benzylpyrazol-3-yl)-3-chlorobenzamide.
What is the SMILES notation for N-(1-benzylpyrazol-3-yl)-3-chlorobenzamide?
The canonical SMILES for N-(1-benzylpyrazol-3-yl)-3-chlorobenzamide is O=C(Nc1ccn(Cc2ccccc2)n1)c1cccc(Cl)c1.
What is the InChIKey of N-(1-benzylpyrazol-3-yl)-3-chlorobenzamide?
The InChIKey is MVJNESPJXBDGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c18-15-8-4-7-14(11-15)17(22)19-16-9-10-21(20-16)12-13-5-2-1-3-6-13/h1-11H,12H2,(H,19,20,22).
What are the key properties of N-(1-benzylpyrazol-3-yl)-3-chlorobenzamide?
N-(1-benzylpyrazol-3-yl)-3-chlorobenzamide has a molecular weight of 311.77 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-3-yl)-3-chlorobenzamide is sourced from PubChem (CID 2991624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).