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

C24H28ClN3O3 — CID 51069639

IUPACN-[[5-(4-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide
SMILESCOCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C(=O)C(C)C
InChIInChI=1S/C24H28ClN3O3/c1-17(2)23(29)28(14-15-30-4)16-21-22(18-8-6-5-7-9-18)26-27(3)24(21)31-20-12-10-19(25)11-13-20/h5-13,17H,14-16H2,1-4H3
InChIKeyVINILVJZSQBKQQ-UHFFFAOYSA-N
MW441.96 g/mol
LogP5.16
Rot. Bonds9

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

N-[[5-(4-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide (PubChem CID 51069639) has the molecular formula C24H28ClN3O3 and a molecular weight of 441.96 g/mol. Its IUPAC name is N-[[5-(4-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-[[5-(4-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide
PubChem CID51069639
Molecular FormulaC24H28ClN3O3
Molecular Weight441.96 g/mol
Exact Mass441.18
IUPAC NameN-[[5-(4-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide
SMILESCOCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C(=O)C(C)C
InChIInChI=1S/C24H28ClN3O3/c1-17(2)23(29)28(14-15-30-4)16-21-22(18-8-6-5-7-9-18)26-27(3)24(21)31-20-12-10-19(25)11-13-20/h5-13,17H,14-16H2,1-4H3
InChIKeyVINILVJZSQBKQQ-UHFFFAOYSA-N
XLogP5.16
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.96
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide?
The IUPAC name of N-[[5-(4-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide (CID 51069639) is N-[[5-(4-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide.
What is the SMILES notation for N-[[5-(4-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide?
The canonical SMILES for N-[[5-(4-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide is COCCN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C(=O)C(C)C.
What is the InChIKey of N-[[5-(4-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide?
The InChIKey is VINILVJZSQBKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O3/c1-17(2)23(29)28(14-15-30-4)16-21-22(18-8-6-5-7-9-18)26-27(3)24(21)31-20-12-10-19(25)11-13-20/h5-13,17H,14-16H2,1-4H3.
What are the key properties of N-[[5-(4-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide?
N-[[5-(4-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide has a molecular weight of 441.96 g/mol, XLogP of 5.16, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenoxy)-1-methyl-3-phenylpyrazol-4-yl]methyl]-N-(2-methoxyethyl)-2-methylpropanamide is sourced from PubChem (CID 51069639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).