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2-(2-chlorophenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylpropanamide

C22H24ClN3O2 — CID 55582760

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(2-chlorophenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylpropanamide
SMILESCc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)C(C)Oc1ccccc1Cl
InChIInChI=1S/C22H24ClN3O2/c1-15-19(16(2)26(24-15)18-10-6-5-7-11-18)14-25(4)22(27)17(3)28-21-13-9-8-12-20(21)23/h5-13,17H,14H2,1-4H3
InChIKeyNLNCKFIYMYLDNL-UHFFFAOYSA-N
MW397.91 g/mol
LogP4.57
Rot. Bonds6

About 2-(2-chlorophenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylpropanamide

2-(2-chlorophenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylpropanamide (PubChem CID 55582760) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylpropanamide
PubChem CID55582760
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Name2-(2-chlorophenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylpropanamide
SMILESCc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)C(C)Oc1ccccc1Cl
InChIInChI=1S/C22H24ClN3O2/c1-15-19(16(2)26(24-15)18-10-6-5-7-11-18)14-25(4)22(27)17(3)28-21-13-9-8-12-20(21)23/h5-13,17H,14H2,1-4H3
InChIKeyNLNCKFIYMYLDNL-UHFFFAOYSA-N
XLogP4.57
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylpropanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylpropanamide (CID 55582760) is 2-(2-chlorophenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylpropanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylpropanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylpropanamide is Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)C(C)Oc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylpropanamide?
The InChIKey is NLNCKFIYMYLDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-15-19(16(2)26(24-15)18-10-6-5-7-11-18)14-25(4)22(27)17(3)28-21-13-9-8-12-20(21)23/h5-13,17H,14H2,1-4H3.
What are the key properties of 2-(2-chlorophenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylpropanamide?
2-(2-chlorophenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylpropanamide has a molecular weight of 397.91 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylpropanamide is sourced from PubChem (CID 55582760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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