1-[4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)piperidin-1-yl]-3,3-dimethylbutan-1-one

C17H28N4O — CID 140912309

IUPAC1-[4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)piperidin-1-yl]-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CCC(N2CCn3nccc3C2)CC1
InChIInChI=1S/C17H28N4O/c1-17(2,3)12-16(22)19-8-5-14(6-9-19)20-10-11-21-15(13-20)4-7-18-21/h4,7,14H,5-6,8-13H2,1-3H3
InChIKeyJMFZXDCFTSUVAY-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.13
Rot. Bonds2

About 1-[4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)piperidin-1-yl]-3,3-dimethylbutan-1-one

1-[4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)piperidin-1-yl]-3,3-dimethylbutan-1-one (PubChem CID 140912309) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 1-[4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)piperidin-1-yl]-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-[4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)piperidin-1-yl]-3,3-dimethylbutan-1-one
PubChem CID140912309
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name1-[4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)piperidin-1-yl]-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CCC(N2CCn3nccc3C2)CC1
InChIInChI=1S/C17H28N4O/c1-17(2,3)12-16(22)19-8-5-14(6-9-19)20-10-11-21-15(13-20)4-7-18-21/h4,7,14H,5-6,8-13H2,1-3H3
InChIKeyJMFZXDCFTSUVAY-UHFFFAOYSA-N
XLogP2.13
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)piperidin-1-yl]-3,3-dimethylbutan-1-one?
The IUPAC name of 1-[4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)piperidin-1-yl]-3,3-dimethylbutan-1-one (CID 140912309) is 1-[4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)piperidin-1-yl]-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-[4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)piperidin-1-yl]-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-[4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)piperidin-1-yl]-3,3-dimethylbutan-1-one is CC(C)(C)CC(=O)N1CCC(N2CCn3nccc3C2)CC1.
What is the InChIKey of 1-[4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)piperidin-1-yl]-3,3-dimethylbutan-1-one?
The InChIKey is JMFZXDCFTSUVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-17(2,3)12-16(22)19-8-5-14(6-9-19)20-10-11-21-15(13-20)4-7-18-21/h4,7,14H,5-6,8-13H2,1-3H3.
What are the key properties of 1-[4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)piperidin-1-yl]-3,3-dimethylbutan-1-one?
1-[4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)piperidin-1-yl]-3,3-dimethylbutan-1-one has a molecular weight of 304.44 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)piperidin-1-yl]-3,3-dimethylbutan-1-one is sourced from PubChem (CID 140912309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).