1-(4-cyclopropylpiperazin-1-yl)-3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one

C18H25N5O — CID 56820696

IUPAC1-(4-cyclopropylpiperazin-1-yl)-3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
SMILESCc1nc2ccnn2c(C)c1CCC(=O)N1CCN(C2CC2)CC1
InChIInChI=1S/C18H25N5O/c1-13-16(14(2)23-17(20-13)7-8-19-23)5-6-18(24)22-11-9-21(10-12-22)15-3-4-15/h7-8,15H,3-6,9-12H2,1-2H3
InChIKeyPCGIRLFWOXAWMY-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.59
Rot. Bonds4

About 1-(4-cyclopropylpiperazin-1-yl)-3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one

1-(4-cyclopropylpiperazin-1-yl)-3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one (PubChem CID 56820696) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-(4-cyclopropylpiperazin-1-yl)-3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-cyclopropylpiperazin-1-yl)-3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
PubChem CID56820696
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name1-(4-cyclopropylpiperazin-1-yl)-3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
SMILESCc1nc2ccnn2c(C)c1CCC(=O)N1CCN(C2CC2)CC1
InChIInChI=1S/C18H25N5O/c1-13-16(14(2)23-17(20-13)7-8-19-23)5-6-18(24)22-11-9-21(10-12-22)15-3-4-15/h7-8,15H,3-6,9-12H2,1-2H3
InChIKeyPCGIRLFWOXAWMY-UHFFFAOYSA-N
XLogP1.59
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylpiperazin-1-yl)-3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one?
The IUPAC name of 1-(4-cyclopropylpiperazin-1-yl)-3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one (CID 56820696) is 1-(4-cyclopropylpiperazin-1-yl)-3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one.
What is the SMILES notation for 1-(4-cyclopropylpiperazin-1-yl)-3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one?
The canonical SMILES for 1-(4-cyclopropylpiperazin-1-yl)-3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one is Cc1nc2ccnn2c(C)c1CCC(=O)N1CCN(C2CC2)CC1.
What is the InChIKey of 1-(4-cyclopropylpiperazin-1-yl)-3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one?
The InChIKey is PCGIRLFWOXAWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-13-16(14(2)23-17(20-13)7-8-19-23)5-6-18(24)22-11-9-21(10-12-22)15-3-4-15/h7-8,15H,3-6,9-12H2,1-2H3.
What are the key properties of 1-(4-cyclopropylpiperazin-1-yl)-3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one?
1-(4-cyclopropylpiperazin-1-yl)-3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one has a molecular weight of 327.43 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylpiperazin-1-yl)-3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one is sourced from PubChem (CID 56820696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).