N-cyclopropyl-2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]acetamide

C16H22N6O — CID 133488688

IUPACN-cyclopropyl-2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]acetamide
SMILESCc1cc2c(N3CCN(CC(=O)NC4CC4)CC3)nccn2n1
InChIInChI=1S/C16H22N6O/c1-12-10-14-16(17-4-5-22(14)19-12)21-8-6-20(7-9-21)11-15(23)18-13-2-3-13/h4-5,10,13H,2-3,6-9,11H2,1H3,(H,18,23)
InChIKeyOITMFYMEVUOZAH-UHFFFAOYSA-N
MW314.39 g/mol
LogP0.44
Rot. Bonds4

About N-cyclopropyl-2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]acetamide

N-cyclopropyl-2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]acetamide (PubChem CID 133488688) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]acetamide
PubChem CID133488688
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC NameN-cyclopropyl-2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]acetamide
SMILESCc1cc2c(N3CCN(CC(=O)NC4CC4)CC3)nccn2n1
InChIInChI=1S/C16H22N6O/c1-12-10-14-16(17-4-5-22(14)19-12)21-8-6-20(7-9-21)11-15(23)18-13-2-3-13/h4-5,10,13H,2-3,6-9,11H2,1H3,(H,18,23)
InChIKeyOITMFYMEVUOZAH-UHFFFAOYSA-N
XLogP0.44
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]acetamide (CID 133488688) is N-cyclopropyl-2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]acetamide is Cc1cc2c(N3CCN(CC(=O)NC4CC4)CC3)nccn2n1.
What is the InChIKey of N-cyclopropyl-2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]acetamide?
The InChIKey is OITMFYMEVUOZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-12-10-14-16(17-4-5-22(14)19-12)21-8-6-20(7-9-21)11-15(23)18-13-2-3-13/h4-5,10,13H,2-3,6-9,11H2,1H3,(H,18,23).
What are the key properties of N-cyclopropyl-2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]acetamide?
N-cyclopropyl-2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]acetamide has a molecular weight of 314.39 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 133488688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).