1-[4-[6-[(dimethylamino)methyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]ethanone

C17H25N5O — CID 95815227

IUPAC1-[4-[6-[(dimethylamino)methyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2c(CN(C)C)cnc3cc(C)nn23)CC1
InChIInChI=1S/C17H25N5O/c1-12-9-16-18-10-15(11-20(3)4)17(22(16)19-12)14-5-7-21(8-6-14)13(2)23/h9-10,14H,5-8,11H2,1-4H3
InChIKeyHRKJPGSMXYKSKD-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.83
Rot. Bonds3

About 1-[4-[6-[(dimethylamino)methyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]ethanone

1-[4-[6-[(dimethylamino)methyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]ethanone (PubChem CID 95815227) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[4-[6-[(dimethylamino)methyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[6-[(dimethylamino)methyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]ethanone
PubChem CID95815227
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name1-[4-[6-[(dimethylamino)methyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2c(CN(C)C)cnc3cc(C)nn23)CC1
InChIInChI=1S/C17H25N5O/c1-12-9-16-18-10-15(11-20(3)4)17(22(16)19-12)14-5-7-21(8-6-14)13(2)23/h9-10,14H,5-8,11H2,1-4H3
InChIKeyHRKJPGSMXYKSKD-UHFFFAOYSA-N
XLogP1.83
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-[(dimethylamino)methyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[6-[(dimethylamino)methyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]ethanone (CID 95815227) is 1-[4-[6-[(dimethylamino)methyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[6-[(dimethylamino)methyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[6-[(dimethylamino)methyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2c(CN(C)C)cnc3cc(C)nn23)CC1.
What is the InChIKey of 1-[4-[6-[(dimethylamino)methyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]ethanone?
The InChIKey is HRKJPGSMXYKSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-12-9-16-18-10-15(11-20(3)4)17(22(16)19-12)14-5-7-21(8-6-14)13(2)23/h9-10,14H,5-8,11H2,1-4H3.
What are the key properties of 1-[4-[6-[(dimethylamino)methyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]ethanone?
1-[4-[6-[(dimethylamino)methyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]ethanone has a molecular weight of 315.42 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-[(dimethylamino)methyl]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95815227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).