N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide

C22H22Cl2N4O2 — CID 71797586

IUPACN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NCc1cc(-c2ccncc2)n(C2CCCC2)n1
InChIInChI=1S/C22H22Cl2N4O2/c23-16-5-6-21(19(24)11-16)30-14-22(29)26-13-17-12-20(15-7-9-25-10-8-15)28(27-17)18-3-1-2-4-18/h5-12,18H,1-4,13-14H2,(H,26,29)
InChIKeyIDAMOKURYMZCHP-UHFFFAOYSA-N
MW445.35 g/mol
LogP5.06
Rot. Bonds7

About N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide

N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide (PubChem CID 71797586) has the molecular formula C22H22Cl2N4O2 and a molecular weight of 445.35 g/mol. Its IUPAC name is N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide
PubChem CID71797586
Molecular FormulaC22H22Cl2N4O2
Molecular Weight445.35 g/mol
Exact Mass444.11
IUPAC NameN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)NCc1cc(-c2ccncc2)n(C2CCCC2)n1
InChIInChI=1S/C22H22Cl2N4O2/c23-16-5-6-21(19(24)11-16)30-14-22(29)26-13-17-12-20(15-7-9-25-10-8-15)28(27-17)18-3-1-2-4-18/h5-12,18H,1-4,13-14H2,(H,26,29)
InChIKeyIDAMOKURYMZCHP-UHFFFAOYSA-N
XLogP5.06
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.35
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide?
The IUPAC name of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide (CID 71797586) is N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide.
What is the SMILES notation for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide?
The canonical SMILES for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide is O=C(COc1ccc(Cl)cc1Cl)NCc1cc(-c2ccncc2)n(C2CCCC2)n1.
What is the InChIKey of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide?
The InChIKey is IDAMOKURYMZCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N4O2/c23-16-5-6-21(19(24)11-16)30-14-22(29)26-13-17-12-20(15-7-9-25-10-8-15)28(27-17)18-3-1-2-4-18/h5-12,18H,1-4,13-14H2,(H,26,29).
What are the key properties of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide?
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide has a molecular weight of 445.35 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(2,4-dichlorophenoxy)acetamide is sourced from PubChem (CID 71797586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).