3-butyl-1-methyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-2-one

C22H27N5O — CID 56715904

IUPAC3-butyl-1-methyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-2-one
SMILESCCCCC1C(=O)N(C)CCN1Cc1cnc2c(-c3ccccc3)cnn2c1
InChIInChI=1S/C22H27N5O/c1-3-4-10-20-22(28)25(2)11-12-26(20)15-17-13-23-21-19(14-24-27(21)16-17)18-8-6-5-7-9-18/h5-9,13-14,16,20H,3-4,10-12,15H2,1-2H3
InChIKeyGOBMCJCMGOYOEY-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.23
Rot. Bonds6

About 3-butyl-1-methyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-2-one

3-butyl-1-methyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-2-one (PubChem CID 56715904) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-butyl-1-methyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name3-butyl-1-methyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-2-one
PubChem CID56715904
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name3-butyl-1-methyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-2-one
SMILESCCCCC1C(=O)N(C)CCN1Cc1cnc2c(-c3ccccc3)cnn2c1
InChIInChI=1S/C22H27N5O/c1-3-4-10-20-22(28)25(2)11-12-26(20)15-17-13-23-21-19(14-24-27(21)16-17)18-8-6-5-7-9-18/h5-9,13-14,16,20H,3-4,10-12,15H2,1-2H3
InChIKeyGOBMCJCMGOYOEY-UHFFFAOYSA-N
XLogP3.23
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-methyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-2-one?
The IUPAC name of 3-butyl-1-methyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-2-one (CID 56715904) is 3-butyl-1-methyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-2-one.
What is the SMILES notation for 3-butyl-1-methyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-2-one?
The canonical SMILES for 3-butyl-1-methyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-2-one is CCCCC1C(=O)N(C)CCN1Cc1cnc2c(-c3ccccc3)cnn2c1.
What is the InChIKey of 3-butyl-1-methyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-2-one?
The InChIKey is GOBMCJCMGOYOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-3-4-10-20-22(28)25(2)11-12-26(20)15-17-13-23-21-19(14-24-27(21)16-17)18-8-6-5-7-9-18/h5-9,13-14,16,20H,3-4,10-12,15H2,1-2H3.
What are the key properties of 3-butyl-1-methyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-2-one?
3-butyl-1-methyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-2-one has a molecular weight of 377.49 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-methyl-4-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]piperazin-2-one is sourced from PubChem (CID 56715904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).