2-chloro-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide

C14H16ClN3O — CID 19449817

IUPAC2-chloro-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
SMILESCCn1ccc(CN(C)C(=O)c2ccccc2Cl)n1
InChIInChI=1S/C14H16ClN3O/c1-3-18-9-8-11(16-18)10-17(2)14(19)12-6-4-5-7-13(12)15/h4-9H,3,10H2,1-2H3
InChIKeyHZGJPPAFUMEMFQ-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.83
Rot. Bonds4

About 2-chloro-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide

2-chloro-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide (PubChem CID 19449817) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 2-chloro-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
PubChem CID19449817
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name2-chloro-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
SMILESCCn1ccc(CN(C)C(=O)c2ccccc2Cl)n1
InChIInChI=1S/C14H16ClN3O/c1-3-18-9-8-11(16-18)10-17(2)14(19)12-6-4-5-7-13(12)15/h4-9H,3,10H2,1-2H3
InChIKeyHZGJPPAFUMEMFQ-UHFFFAOYSA-N
XLogP2.83
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(1-ethylpyrazol-3-yl)methyl]benzamide
CID 19331013
N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19278649
4,5-dibromo-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylthiophene-2-carboxamide
CID 19449890
1-[(4-chlorophenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19279036
2-[(4-chlorophenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19478746
2,4-dichloro-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19452287
2-iodo-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19452041
N-[(1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide
CID 19449951
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide
CID 19449970
1-[(4-bromo-2-chlorophenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19278714
N-[[1-(2-hydroxyethyl)pyrazol-3-yl]methyl]-N-methylacetamide
CID 178152321
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-methoxy-N-methylbenzamide
CID 19450044

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide?
The IUPAC name of 2-chloro-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide (CID 19449817) is 2-chloro-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide.
What is the SMILES notation for 2-chloro-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide?
The canonical SMILES for 2-chloro-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide is CCn1ccc(CN(C)C(=O)c2ccccc2Cl)n1.
What is the InChIKey of 2-chloro-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide?
The InChIKey is HZGJPPAFUMEMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-3-18-9-8-11(16-18)10-17(2)14(19)12-6-4-5-7-13(12)15/h4-9H,3,10H2,1-2H3.
What are the key properties of 2-chloro-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide?
2-chloro-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide has a molecular weight of 277.75 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylbenzamide is sourced from PubChem (CID 19449817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).