2,2-dimethyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)propan-1-one

C15H21N5O — CID 110874053

IUPAC2,2-dimethyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)propan-1-one
SMILESCC(C)(C)C(=O)N1CCN(c2ccnc3ccnn23)CC1
InChIInChI=1S/C15H21N5O/c1-15(2,3)14(21)19-10-8-18(9-11-19)13-5-6-16-12-4-7-17-20(12)13/h4-7H,8-11H2,1-3H3
InChIKeyXLZRLVDHDPSHSN-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.42
Rot. Bonds1

About 2,2-dimethyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)propan-1-one

2,2-dimethyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)propan-1-one (PubChem CID 110874053) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2,2-dimethyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)propan-1-one
PubChem CID110874053
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2,2-dimethyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)propan-1-one
SMILESCC(C)(C)C(=O)N1CCN(c2ccnc3ccnn23)CC1
InChIInChI=1S/C15H21N5O/c1-15(2,3)14(21)19-10-8-18(9-11-19)13-5-6-16-12-4-7-17-20(12)13/h4-7H,8-11H2,1-3H3
InChIKeyXLZRLVDHDPSHSN-UHFFFAOYSA-N
XLogP1.42
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)propan-1-one (CID 110874053) is 2,2-dimethyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)propan-1-one is CC(C)(C)C(=O)N1CCN(c2ccnc3ccnn23)CC1.
What is the InChIKey of 2,2-dimethyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)propan-1-one?
The InChIKey is XLZRLVDHDPSHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-15(2,3)14(21)19-10-8-18(9-11-19)13-5-6-16-12-4-7-17-20(12)13/h4-7H,8-11H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)propan-1-one?
2,2-dimethyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)propan-1-one has a molecular weight of 287.37 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 110874053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).