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

C23H26N4O3 — CID 90555336

IUPACN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCc1cc(-c2ccncc2)n(C2CCCC2)n1
InChIInChI=1S/C23H26N4O3/c1-29-21-8-4-5-9-22(21)30-16-23(28)25-15-18-14-20(17-10-12-24-13-11-17)27(26-18)19-6-2-3-7-19/h4-5,8-14,19H,2-3,6-7,15-16H2,1H3,(H,25,28)
InChIKeyBBSGLICUKIXNLS-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.76
Rot. Bonds8

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

N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 90555336) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(2-methoxyphenoxy)acetamide
PubChem CID90555336
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NCc1cc(-c2ccncc2)n(C2CCCC2)n1
InChIInChI=1S/C23H26N4O3/c1-29-21-8-4-5-9-22(21)30-16-23(28)25-15-18-14-20(17-10-12-24-13-11-17)27(26-18)19-6-2-3-7-19/h4-5,8-14,19H,2-3,6-7,15-16H2,1H3,(H,25,28)
InChIKeyBBSGLICUKIXNLS-UHFFFAOYSA-N
XLogP3.76
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-methoxyphenoxy)acetamide?
The IUPAC name of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(2-methoxyphenoxy)acetamide (CID 90555336) is N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)NCc1cc(-c2ccncc2)n(C2CCCC2)n1.
What is the InChIKey of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is BBSGLICUKIXNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-29-21-8-4-5-9-22(21)30-16-23(28)25-15-18-14-20(17-10-12-24-13-11-17)27(26-18)19-6-2-3-7-19/h4-5,8-14,19H,2-3,6-7,15-16H2,1H3,(H,25,28).
What are the key properties of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(2-methoxyphenoxy)acetamide?
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 406.49 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 90555336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).