N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide

C16H17Cl2N3O2 — CID 71808607

IUPACN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide
SMILESCn1nc(CNC(=O)COc2ccc(Cl)cc2Cl)cc1C1CC1
InChIInChI=1S/C16H17Cl2N3O2/c1-21-14(10-2-3-10)7-12(20-21)8-19-16(22)9-23-15-5-4-11(17)6-13(15)18/h4-7,10H,2-3,8-9H2,1H3,(H,19,22)
InChIKeyZMHRZKOTFYSEIM-UHFFFAOYSA-N
MW354.24 g/mol
LogP3.30
Rot. Bonds6

About N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide

N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide (PubChem CID 71808607) has the molecular formula C16H17Cl2N3O2 and a molecular weight of 354.24 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide
PubChem CID71808607
Molecular FormulaC16H17Cl2N3O2
Molecular Weight354.24 g/mol
Exact Mass353.07
IUPAC NameN-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide
SMILESCn1nc(CNC(=O)COc2ccc(Cl)cc2Cl)cc1C1CC1
InChIInChI=1S/C16H17Cl2N3O2/c1-21-14(10-2-3-10)7-12(20-21)8-19-16(22)9-23-15-5-4-11(17)6-13(15)18/h4-7,10H,2-3,8-9H2,1H3,(H,19,22)
InChIKeyZMHRZKOTFYSEIM-UHFFFAOYSA-N
XLogP3.30
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-cyclopropylpyrimidin-4-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide
CID 122263792
2-(2,4-dichlorophenoxy)-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]acetamide
CID 71797643
2-(2,4-dichlorophenoxy)-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)acetamide
CID 90569546
2-(2,4-dichlorophenoxy)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]acetamide
CID 30608039
2-(2,4-dichlorophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 47290674
2-chloro-N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-6-fluorobenzamide
CID 71808581
N-[(2-amino-1,3-thiazol-4-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide
CID 110718005
N-cyclopentyl-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]acetamide
CID 112990888
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide
CID 90490219
2-(2,4-dichlorophenoxy)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 975342
N-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide
CID 7942051
2-(2,4-dichlorophenoxy)-N-[[4-(diethylaminomethyl)phenyl]methyl]acetamide
CID 8947640

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide?
The IUPAC name of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide (CID 71808607) is N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide.
What is the SMILES notation for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide?
The canonical SMILES for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide is Cn1nc(CNC(=O)COc2ccc(Cl)cc2Cl)cc1C1CC1.
What is the InChIKey of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide?
The InChIKey is ZMHRZKOTFYSEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O2/c1-21-14(10-2-3-10)7-12(20-21)8-19-16(22)9-23-15-5-4-11(17)6-13(15)18/h4-7,10H,2-3,8-9H2,1H3,(H,19,22).
What are the key properties of N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide?
N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide has a molecular weight of 354.24 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide is sourced from PubChem (CID 71808607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).