6-(3-ethyl-4-propan-2-ylpiperazine-1-carbonyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C17H25N5O2 — CID 70737387

IUPAC6-(3-ethyl-4-propan-2-ylpiperazine-1-carbonyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCC1CN(C(=O)c2cnc3cc(C)[nH]n3c2=O)CCN1C(C)C
InChIInChI=1S/C17H25N5O2/c1-5-13-10-20(6-7-21(13)11(2)3)16(23)14-9-18-15-8-12(4)19-22(15)17(14)24/h8-9,11,13,19H,5-7,10H2,1-4H3
InChIKeyRCCDRJIMOWVKTK-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.28
Rot. Bonds3

About 6-(3-ethyl-4-propan-2-ylpiperazine-1-carbonyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-(3-ethyl-4-propan-2-ylpiperazine-1-carbonyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 70737387) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 6-(3-ethyl-4-propan-2-ylpiperazine-1-carbonyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-(3-ethyl-4-propan-2-ylpiperazine-1-carbonyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID70737387
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name6-(3-ethyl-4-propan-2-ylpiperazine-1-carbonyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCC1CN(C(=O)c2cnc3cc(C)[nH]n3c2=O)CCN1C(C)C
InChIInChI=1S/C17H25N5O2/c1-5-13-10-20(6-7-21(13)11(2)3)16(23)14-9-18-15-8-12(4)19-22(15)17(14)24/h8-9,11,13,19H,5-7,10H2,1-4H3
InChIKeyRCCDRJIMOWVKTK-UHFFFAOYSA-N
XLogP1.28
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-ethyl-4-propan-2-ylpiperazine-1-carbonyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-(3-ethyl-4-propan-2-ylpiperazine-1-carbonyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 70737387) is 6-(3-ethyl-4-propan-2-ylpiperazine-1-carbonyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-(3-ethyl-4-propan-2-ylpiperazine-1-carbonyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-(3-ethyl-4-propan-2-ylpiperazine-1-carbonyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCC1CN(C(=O)c2cnc3cc(C)[nH]n3c2=O)CCN1C(C)C.
What is the InChIKey of 6-(3-ethyl-4-propan-2-ylpiperazine-1-carbonyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is RCCDRJIMOWVKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-5-13-10-20(6-7-21(13)11(2)3)16(23)14-9-18-15-8-12(4)19-22(15)17(14)24/h8-9,11,13,19H,5-7,10H2,1-4H3.
What are the key properties of 6-(3-ethyl-4-propan-2-ylpiperazine-1-carbonyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-(3-ethyl-4-propan-2-ylpiperazine-1-carbonyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 331.42 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethyl-4-propan-2-ylpiperazine-1-carbonyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 70737387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).