3-cyclopentyl-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]propanamide

C21H25N5O2S — CID 135881063

IUPAC3-cyclopentyl-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]propanamide
SMILESCc1nc(-n2nc(-c3cccs3)cc2NC(=O)CCC2CCCC2)[nH]c(=O)c1C
InChIInChI=1S/C21H25N5O2S/c1-13-14(2)22-21(24-20(13)28)26-18(12-16(25-26)17-8-5-11-29-17)23-19(27)10-9-15-6-3-4-7-15/h5,8,11-12,15H,3-4,6-7,9-10H2,1-2H3,(H,23,27)(H,22,24,28)
InChIKeyJEOAAQGWGFGOFJ-UHFFFAOYSA-N
MW411.53 g/mol
LogP4.21
Rot. Bonds6

About 3-cyclopentyl-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]propanamide

3-cyclopentyl-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]propanamide (PubChem CID 135881063) has the molecular formula C21H25N5O2S and a molecular weight of 411.53 g/mol. Its IUPAC name is 3-cyclopentyl-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]propanamide
PubChem CID135881063
Molecular FormulaC21H25N5O2S
Molecular Weight411.53 g/mol
Exact Mass411.17
IUPAC Name3-cyclopentyl-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]propanamide
SMILESCc1nc(-n2nc(-c3cccs3)cc2NC(=O)CCC2CCCC2)[nH]c(=O)c1C
InChIInChI=1S/C21H25N5O2S/c1-13-14(2)22-21(24-20(13)28)26-18(12-16(25-26)17-8-5-11-29-17)23-19(27)10-9-15-6-3-4-7-15/h5,8,11-12,15H,3-4,6-7,9-10H2,1-2H3,(H,23,27)(H,22,24,28)
InChIKeyJEOAAQGWGFGOFJ-UHFFFAOYSA-N
XLogP4.21
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]propanamide (CID 135881063) is 3-cyclopentyl-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]propanamide is Cc1nc(-n2nc(-c3cccs3)cc2NC(=O)CCC2CCCC2)[nH]c(=O)c1C.
What is the InChIKey of 3-cyclopentyl-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]propanamide?
The InChIKey is JEOAAQGWGFGOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2S/c1-13-14(2)22-21(24-20(13)28)26-18(12-16(25-26)17-8-5-11-29-17)23-19(27)10-9-15-6-3-4-7-15/h5,8,11-12,15H,3-4,6-7,9-10H2,1-2H3,(H,23,27)(H,22,24,28).
What are the key properties of 3-cyclopentyl-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]propanamide?
3-cyclopentyl-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]propanamide has a molecular weight of 411.53 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-3-thiophen-2-ylpyrazol-5-yl]propanamide is sourced from PubChem (CID 135881063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).