1-benzyl-5-chloro-N,N-diethyl-3-methylpyrazole-4-carboxamide

C16H20ClN3O — CID 78777237

IUPAC1-benzyl-5-chloro-N,N-diethyl-3-methylpyrazole-4-carboxamide
SMILESCCN(CC)C(=O)c1c(C)nn(Cc2ccccc2)c1Cl
InChIInChI=1S/C16H20ClN3O/c1-4-19(5-2)16(21)14-12(3)18-20(15(14)17)11-13-9-7-6-8-10-13/h6-10H,4-5,11H2,1-3H3
InChIKeyLFUZPQSLPYOBJQ-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.38
Rot. Bonds5

About 1-benzyl-5-chloro-N,N-diethyl-3-methylpyrazole-4-carboxamide

1-benzyl-5-chloro-N,N-diethyl-3-methylpyrazole-4-carboxamide (PubChem CID 78777237) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-benzyl-5-chloro-N,N-diethyl-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-chloro-N,N-diethyl-3-methylpyrazole-4-carboxamide
PubChem CID78777237
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name1-benzyl-5-chloro-N,N-diethyl-3-methylpyrazole-4-carboxamide
SMILESCCN(CC)C(=O)c1c(C)nn(Cc2ccccc2)c1Cl
InChIInChI=1S/C16H20ClN3O/c1-4-19(5-2)16(21)14-12(3)18-20(15(14)17)11-13-9-7-6-8-10-13/h6-10H,4-5,11H2,1-3H3
InChIKeyLFUZPQSLPYOBJQ-UHFFFAOYSA-N
XLogP3.38
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-1-[(2-chlorophenyl)methyl]-N,N-diethyl-3-methylpyrazole-4-carboxamide
CID 78777250
N,1-dibenzyl-5-chloro-N-(2-methoxyethyl)-3-methylpyrazole-4-carboxamide
CID 134028333
1-benzyl-5-chloro-N-cycloheptyl-N,3-dimethylpyrazole-4-carboxamide
CID 55469052
1-benzyl-N-[2-(benzylamino)-2-oxoethyl]-5-chloro-N,3-dimethylpyrazole-4-carboxamide
CID 154861363
1-benzyl-5-chloro-N-(2-hydroxyethyl)-3-methylpyrazole-4-carboxamide
CID 78800646
1-benzyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-3,5-dimethylpyrazole-4-carboxamide
CID 17472291
1-benzyl-5-chloro-N-(2-hydroxypropyl)-3-methylpyrazole-4-carboxamide
CID 78803331
1-benzyl-5-chloro-N-[(4-cyanophenyl)methyl]-N,3-dimethylpyrazole-4-carboxamide
CID 39858414
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-benzyl-5-chloro-3-methylpyrazole-4-carboxamide
CID 34333420
1-benzyl-5-chloro-N-[2-[di(propan-2-yl)amino]ethyl]-3-methylpyrazole-4-carboxamide
CID 30480679
5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-(3-phenylpropyl)pyrazole-4-carboxamide
CID 27647040
1-benzyl-5-chloro-3-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]pyrazole-4-carboxamide
CID 9227721

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-chloro-N,N-diethyl-3-methylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-5-chloro-N,N-diethyl-3-methylpyrazole-4-carboxamide (CID 78777237) is 1-benzyl-5-chloro-N,N-diethyl-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-5-chloro-N,N-diethyl-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-5-chloro-N,N-diethyl-3-methylpyrazole-4-carboxamide is CCN(CC)C(=O)c1c(C)nn(Cc2ccccc2)c1Cl.
What is the InChIKey of 1-benzyl-5-chloro-N,N-diethyl-3-methylpyrazole-4-carboxamide?
The InChIKey is LFUZPQSLPYOBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-4-19(5-2)16(21)14-12(3)18-20(15(14)17)11-13-9-7-6-8-10-13/h6-10H,4-5,11H2,1-3H3.
What are the key properties of 1-benzyl-5-chloro-N,N-diethyl-3-methylpyrazole-4-carboxamide?
1-benzyl-5-chloro-N,N-diethyl-3-methylpyrazole-4-carboxamide has a molecular weight of 305.81 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-chloro-N,N-diethyl-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 78777237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).