6-ethyl-5-methyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C14H20N4O — CID 58030004

IUPAC6-ethyl-5-methyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c(C)nc2cc([C@@H]3CCCCN3)[nH]n2c1=O
InChIInChI=1S/C14H20N4O/c1-3-10-9(2)16-13-8-12(17-18(13)14(10)19)11-6-4-5-7-15-11/h8,11,15,17H,3-7H2,1-2H3/t11-/m0/s1
InChIKeyUUOKYPUBWXDRLZ-NSHDSACASA-N
MW260.34 g/mol
LogP1.71
Rot. Bonds2

About 6-ethyl-5-methyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-ethyl-5-methyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 58030004) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 6-ethyl-5-methyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-ethyl-5-methyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID58030004
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name6-ethyl-5-methyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c(C)nc2cc([C@@H]3CCCCN3)[nH]n2c1=O
InChIInChI=1S/C14H20N4O/c1-3-10-9(2)16-13-8-12(17-18(13)14(10)19)11-6-4-5-7-15-11/h8,11,15,17H,3-7H2,1-2H3/t11-/m0/s1
InChIKeyUUOKYPUBWXDRLZ-NSHDSACASA-N
XLogP1.71
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-methyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-ethyl-5-methyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 58030004) is 6-ethyl-5-methyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-ethyl-5-methyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-ethyl-5-methyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCc1c(C)nc2cc([C@@H]3CCCCN3)[nH]n2c1=O.
What is the InChIKey of 6-ethyl-5-methyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is UUOKYPUBWXDRLZ-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N4O/c1-3-10-9(2)16-13-8-12(17-18(13)14(10)19)11-6-4-5-7-15-11/h8,11,15,17H,3-7H2,1-2H3/t11-/m0/s1.
What are the key properties of 6-ethyl-5-methyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-ethyl-5-methyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 260.34 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methyl-2-[(2S)-piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 58030004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).