1-benzyl-3-(4-chlorophenyl)-N-(2-methoxyethyl)pyrazole-4-carboxamide

C20H20ClN3O2 — CID 51180334

IUPAC1-benzyl-3-(4-chlorophenyl)-N-(2-methoxyethyl)pyrazole-4-carboxamide
SMILESCOCCNC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClN3O2/c1-26-12-11-22-20(25)18-14-24(13-15-5-3-2-4-6-15)23-19(18)16-7-9-17(21)10-8-16/h2-10,14H,11-13H2,1H3,(H,22,25)
InChIKeyVXXJQJOFBOALCP-UHFFFAOYSA-N
MW369.85 g/mol
LogP3.63
Rot. Bonds7

About 1-benzyl-3-(4-chlorophenyl)-N-(2-methoxyethyl)pyrazole-4-carboxamide

1-benzyl-3-(4-chlorophenyl)-N-(2-methoxyethyl)pyrazole-4-carboxamide (PubChem CID 51180334) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 1-benzyl-3-(4-chlorophenyl)-N-(2-methoxyethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-3-(4-chlorophenyl)-N-(2-methoxyethyl)pyrazole-4-carboxamide
PubChem CID51180334
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name1-benzyl-3-(4-chlorophenyl)-N-(2-methoxyethyl)pyrazole-4-carboxamide
SMILESCOCCNC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C20H20ClN3O2/c1-26-12-11-22-20(25)18-14-24(13-15-5-3-2-4-6-15)23-19(18)16-7-9-17(21)10-8-16/h2-10,14H,11-13H2,1H3,(H,22,25)
InChIKeyVXXJQJOFBOALCP-UHFFFAOYSA-N
XLogP3.63
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-3-(4-chlorophenyl)-N-ethylpyrazole-4-carboxamide
CID 56827699
1-benzyl-3-(4-chlorophenyl)-N-(2-methoxyethyl)-N-methylpyrazole-4-carboxamide
CID 166187356
1-benzyl-3-(4-chlorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 31446508
1-benzyl-N-[3-(methylamino)propyl]-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 119429455
1-benzyl-N-[2-(4-methylphenyl)sulfanylethyl]-3-phenylpyrazole-4-carboxamide
CID 18228084
N,1-dibenzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 27843936
1-benzyl-3-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide
CID 43016615
1-benzyl-N-(3-methoxypropyl)-3-pyridin-3-ylpyrazole-4-carboxamide
CID 17435310
1-benzyl-3-(3-methoxyphenyl)-N-(3-methoxypropyl)pyrazole-4-carboxamide
CID 51188630
ethyl N-[2-[[1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carbonyl]amino]ethyl]carbamate
CID 56557916
1-benzyl-N-(2-hydroxypropyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 78803173
N-(2-amino-2-methylpropyl)-1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 119625953

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-chlorophenyl)-N-(2-methoxyethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-3-(4-chlorophenyl)-N-(2-methoxyethyl)pyrazole-4-carboxamide (CID 51180334) is 1-benzyl-3-(4-chlorophenyl)-N-(2-methoxyethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-3-(4-chlorophenyl)-N-(2-methoxyethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-3-(4-chlorophenyl)-N-(2-methoxyethyl)pyrazole-4-carboxamide is COCCNC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 1-benzyl-3-(4-chlorophenyl)-N-(2-methoxyethyl)pyrazole-4-carboxamide?
The InChIKey is VXXJQJOFBOALCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-26-12-11-22-20(25)18-14-24(13-15-5-3-2-4-6-15)23-19(18)16-7-9-17(21)10-8-16/h2-10,14H,11-13H2,1H3,(H,22,25).
What are the key properties of 1-benzyl-3-(4-chlorophenyl)-N-(2-methoxyethyl)pyrazole-4-carboxamide?
1-benzyl-3-(4-chlorophenyl)-N-(2-methoxyethyl)pyrazole-4-carboxamide has a molecular weight of 369.85 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-chlorophenyl)-N-(2-methoxyethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 51180334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).