5-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-1,3-dimethylpyrazole-4-carboxamide

C16H20ClN3O3 — CID 24610680

IUPAC5-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCCOc1ccc(OCCNC(=O)c2c(C)nn(C)c2Cl)cc1
InChIInChI=1S/C16H20ClN3O3/c1-4-22-12-5-7-13(8-6-12)23-10-9-18-16(21)14-11(2)19-20(3)15(14)17/h5-8H,4,9-10H2,1-3H3,(H,18,21)
InChIKeyZJSAXZRVFHISJU-UHFFFAOYSA-N
MW337.81 g/mol
LogP2.59
Rot. Bonds7

About 5-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-1,3-dimethylpyrazole-4-carboxamide

5-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 24610680) has the molecular formula C16H20ClN3O3 and a molecular weight of 337.81 g/mol. Its IUPAC name is 5-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-1,3-dimethylpyrazole-4-carboxamide
PubChem CID24610680
Molecular FormulaC16H20ClN3O3
Molecular Weight337.81 g/mol
Exact Mass337.12
IUPAC Name5-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCCOc1ccc(OCCNC(=O)c2c(C)nn(C)c2Cl)cc1
InChIInChI=1S/C16H20ClN3O3/c1-4-22-12-5-7-13(8-6-12)23-10-9-18-16(21)14-11(2)19-20(3)15(14)17/h5-8H,4,9-10H2,1-3H3,(H,18,21)
InChIKeyZJSAXZRVFHISJU-UHFFFAOYSA-N
XLogP2.59
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-1,3-dimethylpyrazole-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-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 33254001
5-chloro-N-[2-(4-fluorophenoxy)ethyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 37363146
5-chloro-1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide
CID 47141788
5-chloro-1,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide
CID 51312965
N-[2-(2-aminophenoxy)ethyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 61030494
5-chloro-N-methoxy-1,3-dimethylpyrazole-4-carboxamide
CID 47143740
1-benzyl-5-chloro-N-(4-ethoxyphenyl)-3-methylpyrazole-4-carboxamide
CID 2489518
2-ethoxy-N-[2-(4-ethoxyphenoxy)ethyl]benzamide
CID 27853054
ethyl 4-[2-[(4-chlorobenzoyl)amino]ethoxy]benzoate
CID 14097624
5-chloro-1,3-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrazole-4-carboxamide
CID 24610858
5-chloro-N-(3-ethoxypropyl)-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 51314224
5-chloro-N-[3-[4-(dimethylamino)-2-hydroxy-6-methyloxan-3-yl]oxypropyl]-1,3-dimethylpyrazole-4-carboxamide
CID 91581133

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-1,3-dimethylpyrazole-4-carboxamide (CID 24610680) is 5-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-1,3-dimethylpyrazole-4-carboxamide is CCOc1ccc(OCCNC(=O)c2c(C)nn(C)c2Cl)cc1.
What is the InChIKey of 5-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is ZJSAXZRVFHISJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O3/c1-4-22-12-5-7-13(8-6-12)23-10-9-18-16(21)14-11(2)19-20(3)15(14)17/h5-8H,4,9-10H2,1-3H3,(H,18,21).
What are the key properties of 5-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-1,3-dimethylpyrazole-4-carboxamide?
5-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 337.81 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(4-ethoxyphenoxy)ethyl]-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 24610680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).