2-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one

C17H27N5O — CID 50981192

IUPAC2-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
SMILESO=C1NCCN2CCN(Cc3cn[nH]c3C3CCCCC3)CC12
InChIInChI=1S/C17H27N5O/c23-17-15-12-21(8-9-22(15)7-6-18-17)11-14-10-19-20-16(14)13-4-2-1-3-5-13/h10,13,15H,1-9,11-12H2,(H,18,23)(H,19,20)
InChIKeyBNAQQCGIEGWWPI-UHFFFAOYSA-N
MW317.44 g/mol
LogP1.07
Rot. Bonds3

About 2-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one

2-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one (PubChem CID 50981192) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is 2-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one.

Molecular Properties

Compound Name2-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
PubChem CID50981192
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name2-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
SMILESO=C1NCCN2CCN(Cc3cn[nH]c3C3CCCCC3)CC12
InChIInChI=1S/C17H27N5O/c23-17-15-12-21(8-9-22(15)7-6-18-17)11-14-10-19-20-16(14)13-4-2-1-3-5-13/h10,13,15H,1-9,11-12H2,(H,18,23)(H,19,20)
InChIKeyBNAQQCGIEGWWPI-UHFFFAOYSA-N
XLogP1.07
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclohexylmethyl)-3-[2-oxo-2-(2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethyl]-2-piperazinone
CID 56900947
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 72022860
3-(azepan-1-yl)-1-[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 118741487
(9aS)-2-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 95227179
1'-[(3-cyclohexyl-1H-pyrazol-4-yl)methyl]-N-isopropyl-1,4'-bipiperidine-4-carboxamide
CID 28384791
5-{4-[(3-cyclohexyl-1H-pyrazol-4-yl)methyl]-1-piperazinyl}-2-methyl-3(2H)-pyridazinone
CID 29255897
ethyl 4-{1-[(3-cyclohexyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}-1-piperazinecarboxylate
CID 45188242
8-[(5-cyclopropyl-1-methyl-1H-pyrazol-4-yl)methyl]hexahydro-2H-pyrazino[1,2-a]pyrazin-1(6H)-one
CID 50953928
((1S)-1-{[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]carbonyl}butyl)amine
CID 56747571
(1S*,4R*)-2-{2-[4-(4-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-oxoethyl}-2-azabicyclo[2.2.1]heptane
CID 90650609
3-[2-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 127247369
N-(5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinolin-8-yl)acetamide
CID 14552471

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
The IUPAC name of 2-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one (CID 50981192) is 2-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one.
What is the SMILES notation for 2-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
The canonical SMILES for 2-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one is O=C1NCCN2CCN(Cc3cn[nH]c3C3CCCCC3)CC12.
What is the InChIKey of 2-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
The InChIKey is BNAQQCGIEGWWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c23-17-15-12-21(8-9-22(15)7-6-18-17)11-14-10-19-20-16(14)13-4-2-1-3-5-13/h10,13,15H,1-9,11-12H2,(H,18,23)(H,19,20).
What are the key properties of 2-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one?
2-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one has a molecular weight of 317.44 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one is sourced from PubChem (CID 50981192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).