2-[5-(2-cyclopentylethylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one

C17H25N5O — CID 169018046

IUPAC2-[5-(2-cyclopentylethylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-n2nc(C)cc2NCCC2CCCC2)n1
InChIInChI=1S/C17H25N5O/c1-3-14-11-16(23)20-17(19-14)22-15(10-12(2)21-22)18-9-8-13-6-4-5-7-13/h10-11,13,18H,3-9H2,1-2H3,(H,19,20,23)
InChIKeyHWBMTZPKNYXRTI-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.82
Rot. Bonds6

About 2-[5-(2-cyclopentylethylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one

2-[5-(2-cyclopentylethylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one (PubChem CID 169018046) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-[5-(2-cyclopentylethylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[5-(2-cyclopentylethylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one
PubChem CID169018046
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name2-[5-(2-cyclopentylethylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-n2nc(C)cc2NCCC2CCCC2)n1
InChIInChI=1S/C17H25N5O/c1-3-14-11-16(23)20-17(19-14)22-15(10-12(2)21-22)18-9-8-13-6-4-5-7-13/h10-11,13,18H,3-9H2,1-2H3,(H,19,20,23)
InChIKeyHWBMTZPKNYXRTI-UHFFFAOYSA-N
XLogP2.82
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-cyclopentylethylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[5-(2-cyclopentylethylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one (CID 169018046) is 2-[5-(2-cyclopentylethylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[5-(2-cyclopentylethylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[5-(2-cyclopentylethylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(-n2nc(C)cc2NCCC2CCCC2)n1.
What is the InChIKey of 2-[5-(2-cyclopentylethylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one?
The InChIKey is HWBMTZPKNYXRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-3-14-11-16(23)20-17(19-14)22-15(10-12(2)21-22)18-9-8-13-6-4-5-7-13/h10-11,13,18H,3-9H2,1-2H3,(H,19,20,23).
What are the key properties of 2-[5-(2-cyclopentylethylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one?
2-[5-(2-cyclopentylethylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one has a molecular weight of 315.42 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-cyclopentylethylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 169018046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).