2-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylbenzamide

C13H14ClN3O — CID 106512250

IUPAC2-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylbenzamide
SMILESCCc1cc(NC(=O)c2ccc(C)cc2Cl)n[nH]1
InChIInChI=1S/C13H14ClN3O/c1-3-9-7-12(17-16-9)15-13(18)10-5-4-8(2)6-11(10)14/h4-7H,3H2,1-2H3,(H2,15,16,17,18)
InChIKeyFYVBLXFVDOIGTK-UHFFFAOYSA-N
MW263.73 g/mol
LogP3.19
Rot. Bonds3

About 2-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylbenzamide

2-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylbenzamide (PubChem CID 106512250) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 2-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylbenzamide
PubChem CID106512250
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name2-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylbenzamide
SMILESCCc1cc(NC(=O)c2ccc(C)cc2Cl)n[nH]1
InChIInChI=1S/C13H14ClN3O/c1-3-9-7-12(17-16-9)15-13(18)10-5-4-8(2)6-11(10)14/h4-7H,3H2,1-2H3,(H2,15,16,17,18)
InChIKeyFYVBLXFVDOIGTK-UHFFFAOYSA-N
XLogP3.19
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-5-methylbenzamide
CID 113259455
4-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-2-methylbenzamide
CID 112689151
2,6-dichloro-N-(5-ethyl-1H-pyrazol-3-yl)benzamide
CID 113433751
2,4-dichloro-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]benzamide
CID 5348678
N-(5-ethyl-1H-pyrazol-3-yl)-2-fluorobenzamide
CID 47423207
3-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-fluorobenzamide
CID 113263522
1-(5-ethyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea
CID 104620407
N-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-2-hydroxybenzamide
CID 112697504
3-ethyl-N-(5-ethyl-1H-pyrazol-3-yl)-6-methylpyridazine-4-carboxamide
CID 104625834
4-chloro-6-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyridine-3-carboxamide
CID 103803878
2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-5-hydroxybenzamide
CID 107075978
N-(5-ethyl-1H-pyrazol-3-yl)-2-oxo-1H-pyridine-3-carboxamide
CID 47423364

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylbenzamide?
The IUPAC name of 2-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylbenzamide (CID 106512250) is 2-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylbenzamide.
What is the SMILES notation for 2-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylbenzamide?
The canonical SMILES for 2-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylbenzamide is CCc1cc(NC(=O)c2ccc(C)cc2Cl)n[nH]1.
What is the InChIKey of 2-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylbenzamide?
The InChIKey is FYVBLXFVDOIGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-3-9-7-12(17-16-9)15-13(18)10-5-4-8(2)6-11(10)14/h4-7H,3H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylbenzamide?
2-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylbenzamide has a molecular weight of 263.73 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylbenzamide is sourced from PubChem (CID 106512250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).