2-(4-chlorophenoxy)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide

C16H20ClN3O2 — CID 171673968

IUPAC2-(4-chlorophenoxy)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide
SMILESCc1cc(CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)n(C)n1
InChIInChI=1S/C16H20ClN3O2/c1-11-9-13(20(4)19-11)10-18-15(21)16(2,3)22-14-7-5-12(17)6-8-14/h5-9H,10H2,1-4H3,(H,18,21)
InChIKeyZOXURXALOUSMIF-UHFFFAOYSA-N
MW321.81 g/mol
LogP2.86
Rot. Bonds5

About 2-(4-chlorophenoxy)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide

2-(4-chlorophenoxy)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide (PubChem CID 171673968) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide
PubChem CID171673968
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC Name2-(4-chlorophenoxy)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide
SMILESCc1cc(CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)n(C)n1
InChIInChI=1S/C16H20ClN3O2/c1-11-9-13(20(4)19-11)10-18-15(21)16(2,3)22-14-7-5-12(17)6-8-14/h5-9H,10H2,1-4H3,(H,18,21)
InChIKeyZOXURXALOUSMIF-UHFFFAOYSA-N
XLogP2.86
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenoxy)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide 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

2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-2-methylpropanamide
CID 2597715
2-(4-chlorophenoxy)-2-methyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]propanamide
CID 166280535
2-(4-chlorophenoxy)-2-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 110441416
2-(4-chlorophenoxy)-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 51315956
2-(4-chlorophenoxy)-N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-2-methylpropanamide
CID 71797324
3-[(4-chlorophenoxy)methyl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]benzamide
CID 19292732
2-(4-chlorophenoxy)-2-methyl-N-[(5-methyl-1,2-oxazol-4-yl)methyl]propanamide
CID 121018855
4-[[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]methyl]benzoic acid
CID 28677125
2-(4-chlorophenyl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 19292791
2-(4-chlorophenoxy)-2-methyl-N-(1-methylpyrazol-3-yl)propanamide
CID 7638240
2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-N-(pyridin-4-ylmethyl)propanamide
CID 154646142
2-(4-chlorophenoxy)-2-methyl-N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]propanamide
CID 91967491

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide (CID 171673968) is 2-(4-chlorophenoxy)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide is Cc1cc(CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)n(C)n1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide?
The InChIKey is ZOXURXALOUSMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-11-9-13(20(4)19-11)10-18-15(21)16(2,3)22-14-7-5-12(17)6-8-14/h5-9H,10H2,1-4H3,(H,18,21).
What are the key properties of 2-(4-chlorophenoxy)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide?
2-(4-chlorophenoxy)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide has a molecular weight of 321.81 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide is sourced from PubChem (CID 171673968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).