3-(chloromethyl)-N-(2,5-dimethylpyrazol-3-yl)benzamide

C13H14ClN3O — CID 43156305

IUPAC3-(chloromethyl)-N-(2,5-dimethylpyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2cccc(CCl)c2)n(C)n1
InChIInChI=1S/C13H14ClN3O/c1-9-6-12(17(2)16-9)15-13(18)11-5-3-4-10(7-11)8-14/h3-7H,8H2,1-2H3,(H,15,18)
InChIKeySAKBZXGGIRRYGK-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.72
Rot. Bonds3

About 3-(chloromethyl)-N-(2,5-dimethylpyrazol-3-yl)benzamide

3-(chloromethyl)-N-(2,5-dimethylpyrazol-3-yl)benzamide (PubChem CID 43156305) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 3-(chloromethyl)-N-(2,5-dimethylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3-(chloromethyl)-N-(2,5-dimethylpyrazol-3-yl)benzamide
PubChem CID43156305
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name3-(chloromethyl)-N-(2,5-dimethylpyrazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2cccc(CCl)c2)n(C)n1
InChIInChI=1S/C13H14ClN3O/c1-9-6-12(17(2)16-9)15-13(18)11-5-3-4-10(7-11)8-14/h3-7H,8H2,1-2H3,(H,15,18)
InChIKeySAKBZXGGIRRYGK-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[3-(chloromethyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 114293272
3-(chloromethyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 43470690
N-(2,5-dimethylpyrazol-3-yl)-2,3-dihydroxybenzamide
CID 114343847
4-amino-N-(2,5-dimethylpyrazol-3-yl)-3-methylbenzamide
CID 16784587
4-tert-butyl-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 10038843
N-(2,5-dimethylpyrazol-3-yl)-2,3-difluorobenzamide
CID 62650484
N-(2,5-dimethylpyrazol-3-yl)-3,4-diethoxybenzamide
CID 35291217
3-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)benzamide
CID 45284642
N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbenzamide
CID 110482972
3-(benzenesulfonamido)-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 37044059
N-[3-[(2,5-dimethylpyrazol-3-yl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 46412624
2-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 3741602

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-(2,5-dimethylpyrazol-3-yl)benzamide?
The IUPAC name of 3-(chloromethyl)-N-(2,5-dimethylpyrazol-3-yl)benzamide (CID 43156305) is 3-(chloromethyl)-N-(2,5-dimethylpyrazol-3-yl)benzamide.
What is the SMILES notation for 3-(chloromethyl)-N-(2,5-dimethylpyrazol-3-yl)benzamide?
The canonical SMILES for 3-(chloromethyl)-N-(2,5-dimethylpyrazol-3-yl)benzamide is Cc1cc(NC(=O)c2cccc(CCl)c2)n(C)n1.
What is the InChIKey of 3-(chloromethyl)-N-(2,5-dimethylpyrazol-3-yl)benzamide?
The InChIKey is SAKBZXGGIRRYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-9-6-12(17(2)16-9)15-13(18)11-5-3-4-10(7-11)8-14/h3-7H,8H2,1-2H3,(H,15,18).
What are the key properties of 3-(chloromethyl)-N-(2,5-dimethylpyrazol-3-yl)benzamide?
3-(chloromethyl)-N-(2,5-dimethylpyrazol-3-yl)benzamide has a molecular weight of 263.73 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-(2,5-dimethylpyrazol-3-yl)benzamide is sourced from PubChem (CID 43156305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).