5-chloro-1-[(2-chlorophenyl)methyl]-N,N-diethyl-3-methylpyrazole-4-carboxamide

C16H19Cl2N3O — CID 78777250

IUPAC5-chloro-1-[(2-chlorophenyl)methyl]-N,N-diethyl-3-methylpyrazole-4-carboxamide
SMILESCCN(CC)C(=O)c1c(C)nn(Cc2ccccc2Cl)c1Cl
InChIInChI=1S/C16H19Cl2N3O/c1-4-20(5-2)16(22)14-11(3)19-21(15(14)18)10-12-8-6-7-9-13(12)17/h6-9H,4-5,10H2,1-3H3
InChIKeyXYAGLGCGNYGVIS-UHFFFAOYSA-N
MW340.25 g/mol
LogP4.03
Rot. Bonds5

About 5-chloro-1-[(2-chlorophenyl)methyl]-N,N-diethyl-3-methylpyrazole-4-carboxamide

5-chloro-1-[(2-chlorophenyl)methyl]-N,N-diethyl-3-methylpyrazole-4-carboxamide (PubChem CID 78777250) has the molecular formula C16H19Cl2N3O and a molecular weight of 340.25 g/mol. Its IUPAC name is 5-chloro-1-[(2-chlorophenyl)methyl]-N,N-diethyl-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-1-[(2-chlorophenyl)methyl]-N,N-diethyl-3-methylpyrazole-4-carboxamide
PubChem CID78777250
Molecular FormulaC16H19Cl2N3O
Molecular Weight340.25 g/mol
Exact Mass339.09
IUPAC Name5-chloro-1-[(2-chlorophenyl)methyl]-N,N-diethyl-3-methylpyrazole-4-carboxamide
SMILESCCN(CC)C(=O)c1c(C)nn(Cc2ccccc2Cl)c1Cl
InChIInChI=1S/C16H19Cl2N3O/c1-4-20(5-2)16(22)14-11(3)19-21(15(14)18)10-12-8-6-7-9-13(12)17/h6-9H,4-5,10H2,1-3H3
InChIKeyXYAGLGCGNYGVIS-UHFFFAOYSA-N
XLogP4.03
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-5-chloro-N,N-diethyl-3-methylpyrazole-4-carboxamide
CID 78777237
2-[4-[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide
CID 55447163
5-chloro-1-[(2-chlorophenyl)methyl]-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,3-dimethylpyrazole-4-carboxamide
CID 31929455
1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid
CID 2451344
5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N'-phenylpyrazole-4-carbohydrazide
CID 78774668
5-chloro-1-[(2-chlorophenyl)methyl]-N-(3-ethoxypropyl)-3-methylpyrazole-4-carboxamide
CID 29353447
5-chloro-1-[(2-chlorophenyl)methyl]-N,3-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxamide
CID 78815926
5-chloro-1-[(2-chlorophenyl)methyl]-N-[2-(2-methoxyphenoxy)ethyl]-N,3-dimethylpyrazole-4-carboxamide
CID 55898744
1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxylate
CID 2451343
5-chloro-1-[(2-chlorophenyl)methyl]-N-[2-[(dimethylamino)methyl]phenyl]-3-methylpyrazole-4-carboxamide
CID 38438701
5-chloro-1-[(2-chlorophenyl)methyl]-N-[3-(4-hydroxyphenyl)propyl]-3-methylpyrazole-4-carboxamide
CID 86973065
5-chloro-1-[(2-chlorophenyl)methyl]-N,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 31645229

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2-chlorophenyl)methyl]-N,N-diethyl-3-methylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-1-[(2-chlorophenyl)methyl]-N,N-diethyl-3-methylpyrazole-4-carboxamide (CID 78777250) is 5-chloro-1-[(2-chlorophenyl)methyl]-N,N-diethyl-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-1-[(2-chlorophenyl)methyl]-N,N-diethyl-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-1-[(2-chlorophenyl)methyl]-N,N-diethyl-3-methylpyrazole-4-carboxamide is CCN(CC)C(=O)c1c(C)nn(Cc2ccccc2Cl)c1Cl.
What is the InChIKey of 5-chloro-1-[(2-chlorophenyl)methyl]-N,N-diethyl-3-methylpyrazole-4-carboxamide?
The InChIKey is XYAGLGCGNYGVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O/c1-4-20(5-2)16(22)14-11(3)19-21(15(14)18)10-12-8-6-7-9-13(12)17/h6-9H,4-5,10H2,1-3H3.
What are the key properties of 5-chloro-1-[(2-chlorophenyl)methyl]-N,N-diethyl-3-methylpyrazole-4-carboxamide?
5-chloro-1-[(2-chlorophenyl)methyl]-N,N-diethyl-3-methylpyrazole-4-carboxamide has a molecular weight of 340.25 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(2-chlorophenyl)methyl]-N,N-diethyl-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 78777250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).