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

C16H23N5O — CID 169018023

IUPAC2-[5-(cyclopentylmethylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-n2nc(C)cc2NCC2CCCC2)n1
InChIInChI=1S/C16H23N5O/c1-3-13-9-15(22)19-16(18-13)21-14(8-11(2)20-21)17-10-12-6-4-5-7-12/h8-9,12,17H,3-7,10H2,1-2H3,(H,18,19,22)
InChIKeyOITIIBFKJHCXPU-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.43
Rot. Bonds5

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

2-[5-(cyclopentylmethylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one (PubChem CID 169018023) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[5-(cyclopentylmethylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[5-(cyclopentylmethylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one
PubChem CID169018023
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name2-[5-(cyclopentylmethylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-n2nc(C)cc2NCC2CCCC2)n1
InChIInChI=1S/C16H23N5O/c1-3-13-9-15(22)19-16(18-13)21-14(8-11(2)20-21)17-10-12-6-4-5-7-12/h8-9,12,17H,3-7,10H2,1-2H3,(H,18,19,22)
InChIKeyOITIIBFKJHCXPU-UHFFFAOYSA-N
XLogP2.43
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(cyclopentylmethylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[5-(cyclopentylmethylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one (CID 169018023) is 2-[5-(cyclopentylmethylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[5-(cyclopentylmethylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[5-(cyclopentylmethylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(-n2nc(C)cc2NCC2CCCC2)n1.
What is the InChIKey of 2-[5-(cyclopentylmethylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one?
The InChIKey is OITIIBFKJHCXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-3-13-9-15(22)19-16(18-13)21-14(8-11(2)20-21)17-10-12-6-4-5-7-12/h8-9,12,17H,3-7,10H2,1-2H3,(H,18,19,22).
What are the key properties of 2-[5-(cyclopentylmethylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one?
2-[5-(cyclopentylmethylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one has a molecular weight of 301.39 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(cyclopentylmethylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 169018023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).