3-cyclopentyl-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]propanamide

C22H27N5O3 — CID 135955368

IUPAC3-cyclopentyl-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]propanamide
SMILESCC(C)c1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)CCC2CCCC2)n1
InChIInChI=1S/C22H27N5O3/c1-14(2)16-13-21(29)25-22(23-16)27-19(12-17(26-27)18-8-5-11-30-18)24-20(28)10-9-15-6-3-4-7-15/h5,8,11-15H,3-4,6-7,9-10H2,1-2H3,(H,24,28)(H,23,25,29)
InChIKeyVLLBEAVUCKXEFN-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.25
Rot. Bonds7

About 3-cyclopentyl-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]propanamide

3-cyclopentyl-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]propanamide (PubChem CID 135955368) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 3-cyclopentyl-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]propanamide
PubChem CID135955368
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Name3-cyclopentyl-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]propanamide
SMILESCC(C)c1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)CCC2CCCC2)n1
InChIInChI=1S/C22H27N5O3/c1-14(2)16-13-21(29)25-22(23-16)27-19(12-17(26-27)18-8-5-11-30-18)24-20(28)10-9-15-6-3-4-7-15/h5,8,11-15H,3-4,6-7,9-10H2,1-2H3,(H,24,28)(H,23,25,29)
InChIKeyVLLBEAVUCKXEFN-UHFFFAOYSA-N
XLogP4.25
TPSA105.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]propanamide (CID 135955368) is 3-cyclopentyl-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]propanamide is CC(C)c1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)CCC2CCCC2)n1.
What is the InChIKey of 3-cyclopentyl-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]propanamide?
The InChIKey is VLLBEAVUCKXEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-14(2)16-13-21(29)25-22(23-16)27-19(12-17(26-27)18-8-5-11-30-18)24-20(28)10-9-15-6-3-4-7-15/h5,8,11-15H,3-4,6-7,9-10H2,1-2H3,(H,24,28)(H,23,25,29).
What are the key properties of 3-cyclopentyl-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]propanamide?
3-cyclopentyl-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]propanamide has a molecular weight of 409.49 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[3-(furan-2-yl)-1-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrazol-5-yl]propanamide is sourced from PubChem (CID 135955368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).