4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]benzamide

C13H14ClN3O — CID 19581522

IUPAC4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]benzamide
SMILESCCn1nccc1CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H14ClN3O/c1-2-17-12(7-8-16-17)9-15-13(18)10-3-5-11(14)6-4-10/h3-8H,2,9H2,1H3,(H,15,18)
InChIKeyBXVVACOTEGGDFU-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.49
Rot. Bonds4

About 4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]benzamide

4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]benzamide (PubChem CID 19581522) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]benzamide
PubChem CID19581522
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]benzamide
SMILESCCn1nccc1CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H14ClN3O/c1-2-17-12(7-8-16-17)9-15-13(18)10-3-5-11(14)6-4-10/h3-8H,2,9H2,1H3,(H,15,18)
InChIKeyBXVVACOTEGGDFU-UHFFFAOYSA-N
XLogP2.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 19294713
4-chloro-1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazole-5-carboxamide
CID 19294474
N-[(2-ethylpyrazol-3-yl)methyl]-3,4-dimethoxybenzamide
CID 19294681
4-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide
CID 19290546
4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]aniline
CID 115866130
N-[(2-ethylpyrazol-3-yl)methyl]-5-hydroxypyridine-2-carboxamide
CID 154869970
N-[(2-ethylpyrazol-3-yl)methyl]-2,3-difluorobenzamide
CID 35520962
3-[(4-chloro-2-methylphenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]benzamide
CID 19294630
N-[(2-ethylpyrazol-3-yl)methyl]-2-phenylacetamide
CID 19294481
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(4-chlorophenoxy)methyl]benzamide
CID 19296860
4-[(2,4-dichlorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 19292553
4-chloro-1-ethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-5-carboxamide
CID 19477268

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]benzamide?
The IUPAC name of 4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]benzamide (CID 19581522) is 4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]benzamide?
The canonical SMILES for 4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]benzamide is CCn1nccc1CNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]benzamide?
The InChIKey is BXVVACOTEGGDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-2-17-12(7-8-16-17)9-15-13(18)10-3-5-11(14)6-4-10/h3-8H,2,9H2,1H3,(H,15,18).
What are the key properties of 4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]benzamide?
4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]benzamide has a molecular weight of 263.73 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 19581522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).