1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)ethanone

C12H15N5O — CID 163343809

IUPAC1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CCN(c2ccn3nccc3n2)CC1
InChIInChI=1S/C12H15N5O/c1-10(18)15-6-8-16(9-7-15)11-3-5-17-12(14-11)2-4-13-17/h2-5H,6-9H2,1H3
InChIKeyLRJCPCSTFVHFKB-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.40
Rot. Bonds1

About 1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)ethanone

1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)ethanone (PubChem CID 163343809) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)ethanone
PubChem CID163343809
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CCN(c2ccn3nccc3n2)CC1
InChIInChI=1S/C12H15N5O/c1-10(18)15-6-8-16(9-7-15)11-3-5-17-12(14-11)2-4-13-17/h2-5H,6-9H2,1H3
InChIKeyLRJCPCSTFVHFKB-UHFFFAOYSA-N
XLogP0.40
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 151310719
1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-one
CID 115372220
4-propyl-1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidine-4-carboxylic acid
CID 115372064
ethyl 1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidine-4-carboxylate
CID 115372977
5-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 155942753
2-methyl-2-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)propan-1-amine
CID 115372179
5-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 155942593
5-[4-(azetidin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 115372799
2-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)oxyacetic acid
CID 115372075
5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidine
CID 115371975
2-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)butan-1-amine
CID 115372177
5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 155942755

Frequently Asked Questions

What is the IUPAC name of 1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)ethanone (CID 163343809) is 1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)ethanone is CC(=O)N1CCN(c2ccn3nccc3n2)CC1.
What is the InChIKey of 1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)ethanone?
The InChIKey is LRJCPCSTFVHFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-10(18)15-6-8-16(9-7-15)11-3-5-17-12(14-11)2-4-13-17/h2-5H,6-9H2,1H3.
What are the key properties of 1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)ethanone?
1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)ethanone has a molecular weight of 245.29 g/mol, XLogP of 0.40, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 163343809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).