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

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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).