2-cyclopentyl-N-[3-(furan-2-yl)-1-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]acetamide

C21H23N5O3 — CID 74798472

IUPAC2-cyclopentyl-N-[3-(furan-2-yl)-1-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]acetamide
SMILESO=C(CC1CCCC1)Nc1cc(-c2ccco2)nn1C1=NC(=O)C2CCCC2=N1
InChIInChI=1S/C21H23N5O3/c27-19(11-13-5-1-2-6-13)23-18-12-16(17-9-4-10-29-17)25-26(18)21-22-15-8-3-7-14(15)20(28)24-21/h4,9-10,12-14H,1-3,5-8,11H2,(H,23,27)
InChIKeyNAGRFDJGFLTJDP-UHFFFAOYSA-N
MW393.45 g/mol
LogP3.65
Rot. Bonds4

About 2-cyclopentyl-N-[3-(furan-2-yl)-1-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]acetamide

2-cyclopentyl-N-[3-(furan-2-yl)-1-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]acetamide (PubChem CID 74798472) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 2-cyclopentyl-N-[3-(furan-2-yl)-1-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[3-(furan-2-yl)-1-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]acetamide
PubChem CID74798472
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name2-cyclopentyl-N-[3-(furan-2-yl)-1-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]acetamide
SMILESO=C(CC1CCCC1)Nc1cc(-c2ccco2)nn1C1=NC(=O)C2CCCC2=N1
InChIInChI=1S/C21H23N5O3/c27-19(11-13-5-1-2-6-13)23-18-12-16(17-9-4-10-29-17)25-26(18)21-22-15-8-3-7-14(15)20(28)24-21/h4,9-10,12-14H,1-3,5-8,11H2,(H,23,27)
InChIKeyNAGRFDJGFLTJDP-UHFFFAOYSA-N
XLogP3.65
TPSA101.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[3-(furan-2-yl)-1-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[3-(furan-2-yl)-1-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]acetamide (CID 74798472) is 2-cyclopentyl-N-[3-(furan-2-yl)-1-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[3-(furan-2-yl)-1-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[3-(furan-2-yl)-1-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]acetamide is O=C(CC1CCCC1)Nc1cc(-c2ccco2)nn1C1=NC(=O)C2CCCC2=N1.
What is the InChIKey of 2-cyclopentyl-N-[3-(furan-2-yl)-1-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]acetamide?
The InChIKey is NAGRFDJGFLTJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c27-19(11-13-5-1-2-6-13)23-18-12-16(17-9-4-10-29-17)25-26(18)21-22-15-8-3-7-14(15)20(28)24-21/h4,9-10,12-14H,1-3,5-8,11H2,(H,23,27).
What are the key properties of 2-cyclopentyl-N-[3-(furan-2-yl)-1-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]acetamide?
2-cyclopentyl-N-[3-(furan-2-yl)-1-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]acetamide has a molecular weight of 393.45 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[3-(furan-2-yl)-1-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]acetamide is sourced from PubChem (CID 74798472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).