7-(5-cyclohexyl-1H-pyrazole-3-carbonyl)-8a-methyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one

C17H24N4O3 — CID 155959274

IUPAC7-(5-cyclohexyl-1H-pyrazole-3-carbonyl)-8a-methyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCC12COC(=O)N1CCN(C(=O)c1cc(C3CCCCC3)[nH]n1)C2
InChIInChI=1S/C17H24N4O3/c1-17-10-20(7-8-21(17)16(23)24-11-17)15(22)14-9-13(18-19-14)12-5-3-2-4-6-12/h9,12H,2-8,10-11H2,1H3,(H,18,19)
InChIKeyBZZYJKYWTNQKID-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.12
Rot. Bonds2

About 7-(5-cyclohexyl-1H-pyrazole-3-carbonyl)-8a-methyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one

7-(5-cyclohexyl-1H-pyrazole-3-carbonyl)-8a-methyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one (PubChem CID 155959274) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 7-(5-cyclohexyl-1H-pyrazole-3-carbonyl)-8a-methyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one.

Molecular Properties

Compound Name7-(5-cyclohexyl-1H-pyrazole-3-carbonyl)-8a-methyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
PubChem CID155959274
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name7-(5-cyclohexyl-1H-pyrazole-3-carbonyl)-8a-methyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCC12COC(=O)N1CCN(C(=O)c1cc(C3CCCCC3)[nH]n1)C2
InChIInChI=1S/C17H24N4O3/c1-17-10-20(7-8-21(17)16(23)24-11-17)15(22)14-9-13(18-19-14)12-5-3-2-4-6-12/h9,12H,2-8,10-11H2,1H3,(H,18,19)
InChIKeyBZZYJKYWTNQKID-UHFFFAOYSA-N
XLogP2.12
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(5-cyclohexyl-1H-pyrazole-3-carbonyl)-8a-methyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one with MolForge

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Related Compounds

US10022354, Example 207
CID 121279649
1'-[(3-isobutyl-1H-pyrazol-5-yl)carbonyl]-4-(1-pyrrolidinylcarbonyl)-1,4'-bipiperidine
CID 16187219
[1-[1-[[5-(2-methylpropyl)-1H-pyrazol-3-yl]-oxomethyl]-4-piperidinyl]-4-piperidinyl]-(4-morpholinyl)methanone
CID 16191575
N-(2-methoxyethyl)-1-(3-methylbutyl)-5-[(5-methyl-1H-pyrazol-3-yl)carbonyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26228853
US10022354, Example 145
CID 132070196
US11691968, Example 138
CID 167524468
US20230271952, Example 138
CID 168678799
3-{1-[2-(cyclopropylmethoxy)ethyl]piperidin-3-yl}-1H-pyrazole-5-carboxamide
CID 71927101
5-[1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 71927106
5-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 71927115
5-[1-(2-ethoxyethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 71927136
5-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 72121264

Frequently Asked Questions

What is the IUPAC name of 7-(5-cyclohexyl-1H-pyrazole-3-carbonyl)-8a-methyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The IUPAC name of 7-(5-cyclohexyl-1H-pyrazole-3-carbonyl)-8a-methyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one (CID 155959274) is 7-(5-cyclohexyl-1H-pyrazole-3-carbonyl)-8a-methyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one.
What is the SMILES notation for 7-(5-cyclohexyl-1H-pyrazole-3-carbonyl)-8a-methyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The canonical SMILES for 7-(5-cyclohexyl-1H-pyrazole-3-carbonyl)-8a-methyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one is CC12COC(=O)N1CCN(C(=O)c1cc(C3CCCCC3)[nH]n1)C2.
What is the InChIKey of 7-(5-cyclohexyl-1H-pyrazole-3-carbonyl)-8a-methyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The InChIKey is BZZYJKYWTNQKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-17-10-20(7-8-21(17)16(23)24-11-17)15(22)14-9-13(18-19-14)12-5-3-2-4-6-12/h9,12H,2-8,10-11H2,1H3,(H,18,19).
What are the key properties of 7-(5-cyclohexyl-1H-pyrazole-3-carbonyl)-8a-methyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one?
7-(5-cyclohexyl-1H-pyrazole-3-carbonyl)-8a-methyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one has a molecular weight of 332.40 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-cyclohexyl-1H-pyrazole-3-carbonyl)-8a-methyl-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one is sourced from PubChem (CID 155959274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).