5-(4-chlorophenyl)-N-methyl-N-(2-phenoxyethyl)-1H-pyrazole-4-carboxamide

C19H18ClN3O2 — CID 16596269

IUPAC5-(4-chlorophenyl)-N-methyl-N-(2-phenoxyethyl)-1H-pyrazole-4-carboxamide
SMILESCN(CCOc1ccccc1)C(=O)c1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClN3O2/c1-23(11-12-25-16-5-3-2-4-6-16)19(24)17-13-21-22-18(17)14-7-9-15(20)10-8-14/h2-10,13H,11-12H2,1H3,(H,21,22)
InChIKeyJQGOODCUFCVIND-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.88
Rot. Bonds6

About 5-(4-chlorophenyl)-N-methyl-N-(2-phenoxyethyl)-1H-pyrazole-4-carboxamide

5-(4-chlorophenyl)-N-methyl-N-(2-phenoxyethyl)-1H-pyrazole-4-carboxamide (PubChem CID 16596269) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-methyl-N-(2-phenoxyethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-methyl-N-(2-phenoxyethyl)-1H-pyrazole-4-carboxamide
PubChem CID16596269
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name5-(4-chlorophenyl)-N-methyl-N-(2-phenoxyethyl)-1H-pyrazole-4-carboxamide
SMILESCN(CCOc1ccccc1)C(=O)c1cn[nH]c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClN3O2/c1-23(11-12-25-16-5-3-2-4-6-16)19(24)17-13-21-22-18(17)14-7-9-15(20)10-8-14/h2-10,13H,11-12H2,1H3,(H,21,22)
InChIKeyJQGOODCUFCVIND-UHFFFAOYSA-N
XLogP3.88
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(4-chlorophenyl)-N-methyl-N-(2-phenoxyethyl)-1H-pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-methoxyphenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-1H-pyrazole-4-carboxamide
CID 78834288
5-(4-chlorophenyl)-N-(4-phenoxybutyl)-1H-pyrazole-4-carboxamide
CID 16599389
5-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 55958422
2-chloro-5-fluoro-N-methyl-N-(2-phenoxyethyl)pyridine-3-carboxamide
CID 103891558
methyl 3-[methyl-(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoate
CID 61032083
3-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 66482556
3-fluoro-N-methyl-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 115645434
methyl 2-[methyl-(5-phenyl-1H-pyrazole-4-carbonyl)amino]acetate
CID 43409768
N-[(5-bromothiophen-2-yl)methyl]-5-(4-chlorophenyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 16596863
N-methyl-2-(4-methylphenyl)-6-oxo-N-(2-phenoxyethyl)-1H-pyrimidine-5-carboxamide
CID 70711569
N-[2-(4-chlorophenoxy)ethyl]-N,2,3-trimethylbenzamide
CID 112792732
2-chloro-5-(dimethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 8960771

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-methyl-N-(2-phenoxyethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-methyl-N-(2-phenoxyethyl)-1H-pyrazole-4-carboxamide (CID 16596269) is 5-(4-chlorophenyl)-N-methyl-N-(2-phenoxyethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-methyl-N-(2-phenoxyethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-methyl-N-(2-phenoxyethyl)-1H-pyrazole-4-carboxamide is CN(CCOc1ccccc1)C(=O)c1cn[nH]c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-methyl-N-(2-phenoxyethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is JQGOODCUFCVIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-23(11-12-25-16-5-3-2-4-6-16)19(24)17-13-21-22-18(17)14-7-9-15(20)10-8-14/h2-10,13H,11-12H2,1H3,(H,21,22).
What are the key properties of 5-(4-chlorophenyl)-N-methyl-N-(2-phenoxyethyl)-1H-pyrazole-4-carboxamide?
5-(4-chlorophenyl)-N-methyl-N-(2-phenoxyethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 355.83 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-methyl-N-(2-phenoxyethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 16596269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).