3-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)benzamide

C13H14ClN3O — CID 45284642

IUPAC3-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)benzamide
SMILESCCn1nc(C)cc1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H14ClN3O/c1-3-17-12(7-9(2)16-17)15-13(18)10-5-4-6-11(14)8-10/h4-8H,3H2,1-2H3,(H,15,18)
InChIKeySJAWQLJAUJYXCX-UHFFFAOYSA-N
MW263.73 g/mol
LogP3.12
Rot. Bonds3

About 3-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)benzamide

3-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)benzamide (PubChem CID 45284642) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 3-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)benzamide
PubChem CID45284642
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name3-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)benzamide
SMILESCCn1nc(C)cc1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H14ClN3O/c1-3-17-12(7-9(2)16-17)15-13(18)10-5-4-6-11(14)8-10/h4-8H,3H2,1-2H3,(H,15,18)
InChIKeySJAWQLJAUJYXCX-UHFFFAOYSA-N
XLogP3.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethyl-5-methylpyrazol-3-yl)-3-nitrobenzamide
CID 45284644
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4-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 2352147
3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]benzamide
CID 35525667
N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbenzamide
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N-[2-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44822092
1-(3-acetylphenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)urea
CID 39742337
N-[2-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]pyridine-3-carboxamide
CID 5302832
3-chloro-N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)benzamide
CID 1265565
2-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)acetamide
CID 69192332
3-(chloromethyl)-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 43156305
1-(5-chloro-2-methoxyphenyl)-3-(2-ethyl-5-methylpyrazol-3-yl)urea
CID 39853453

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)benzamide?
The IUPAC name of 3-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)benzamide (CID 45284642) is 3-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)benzamide?
The canonical SMILES for 3-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)benzamide is CCn1nc(C)cc1NC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)benzamide?
The InChIKey is SJAWQLJAUJYXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-3-17-12(7-9(2)16-17)15-13(18)10-5-4-6-11(14)8-10/h4-8H,3H2,1-2H3,(H,15,18).
What are the key properties of 3-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)benzamide?
3-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)benzamide has a molecular weight of 263.73 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 45284642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).