(4-propan-2-ylpiperazin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone

C17H25N5O — CID 53040893

IUPAC(4-propan-2-ylpiperazin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCN(C(C)C)CC2)nc2ccnn12
InChIInChI=1S/C17H25N5O/c1-12(2)15-11-14(19-16-5-6-18-22(15)16)17(23)21-9-7-20(8-10-21)13(3)4/h5-6,11-13H,7-10H2,1-4H3
InChIKeyQMBCHWVRACOPPV-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.02
Rot. Bonds3

About (4-propan-2-ylpiperazin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone

(4-propan-2-ylpiperazin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone (PubChem CID 53040893) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is (4-propan-2-ylpiperazin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone.

Molecular Properties

Compound Name(4-propan-2-ylpiperazin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
PubChem CID53040893
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name(4-propan-2-ylpiperazin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCN(C(C)C)CC2)nc2ccnn12
InChIInChI=1S/C17H25N5O/c1-12(2)15-11-14(19-16-5-6-18-22(15)16)17(23)21-9-7-20(8-10-21)13(3)4/h5-6,11-13H,7-10H2,1-4H3
InChIKeyQMBCHWVRACOPPV-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylpiperazin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone?
The IUPAC name of (4-propan-2-ylpiperazin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone (CID 53040893) is (4-propan-2-ylpiperazin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone.
What is the SMILES notation for (4-propan-2-ylpiperazin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone?
The canonical SMILES for (4-propan-2-ylpiperazin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone is CC(C)c1cc(C(=O)N2CCN(C(C)C)CC2)nc2ccnn12.
What is the InChIKey of (4-propan-2-ylpiperazin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone?
The InChIKey is QMBCHWVRACOPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-12(2)15-11-14(19-16-5-6-18-22(15)16)17(23)21-9-7-20(8-10-21)13(3)4/h5-6,11-13H,7-10H2,1-4H3.
What are the key properties of (4-propan-2-ylpiperazin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone?
(4-propan-2-ylpiperazin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone has a molecular weight of 315.42 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylpiperazin-1-yl)-(7-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)methanone is sourced from PubChem (CID 53040893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).