2-cyclopentyl-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide

C17H22N4O — CID 126854924

IUPAC2-cyclopentyl-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide
SMILESO=C(CC1CCCC1)NCCn1cc(-c2ccncc2)cn1
InChIInChI=1S/C17H22N4O/c22-17(11-14-3-1-2-4-14)19-9-10-21-13-16(12-20-21)15-5-7-18-8-6-15/h5-8,12-14H,1-4,9-11H2,(H,19,22)
InChIKeyTUKSSWRGVKDCPK-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.64
Rot. Bonds6

About 2-cyclopentyl-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide

2-cyclopentyl-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide (PubChem CID 126854924) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-cyclopentyl-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide
PubChem CID126854924
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2-cyclopentyl-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide
SMILESO=C(CC1CCCC1)NCCn1cc(-c2ccncc2)cn1
InChIInChI=1S/C17H22N4O/c22-17(11-14-3-1-2-4-14)19-9-10-21-13-16(12-20-21)15-5-7-18-8-6-15/h5-8,12-14H,1-4,9-11H2,(H,19,22)
InChIKeyTUKSSWRGVKDCPK-UHFFFAOYSA-N
XLogP2.64
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide (CID 126854924) is 2-cyclopentyl-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide is O=C(CC1CCCC1)NCCn1cc(-c2ccncc2)cn1.
What is the InChIKey of 2-cyclopentyl-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide?
The InChIKey is TUKSSWRGVKDCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c22-17(11-14-3-1-2-4-14)19-9-10-21-13-16(12-20-21)15-5-7-18-8-6-15/h5-8,12-14H,1-4,9-11H2,(H,19,22).
What are the key properties of 2-cyclopentyl-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide?
2-cyclopentyl-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide has a molecular weight of 298.39 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 126854924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).