(7R,8aS)-7-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C15H26N4O2 — CID 97386228

IUPAC(7R,8aS)-7-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCOCCO[C@@H]1C[C@H]2CN(Cc3cnn(C)c3)CCN2C1
InChIInChI=1S/C15H26N4O2/c1-17-9-13(8-16-17)10-18-3-4-19-12-15(7-14(19)11-18)21-6-5-20-2/h8-9,14-15H,3-7,10-12H2,1-2H3/t14-,15+/m0/s1
InChIKeyGHOVDAOHUJUXFL-LSDHHAIUSA-N
MW294.40 g/mol
LogP0.34
Rot. Bonds6

About (7R,8aS)-7-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

(7R,8aS)-7-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 97386228) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is (7R,8aS)-7-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name(7R,8aS)-7-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID97386228
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name(7R,8aS)-7-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCOCCO[C@@H]1C[C@H]2CN(Cc3cnn(C)c3)CCN2C1
InChIInChI=1S/C15H26N4O2/c1-17-9-13(8-16-17)10-18-3-4-19-12-15(7-14(19)11-18)21-6-5-20-2/h8-9,14-15H,3-7,10-12H2,1-2H3/t14-,15+/m0/s1
InChIKeyGHOVDAOHUJUXFL-LSDHHAIUSA-N
XLogP0.34
TPSA42.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (7R,8aS)-7-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine with MolForge

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Related Compounds

(7R,8aS)-7-(2-methoxyethoxy)-2-(pyridin-2-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 97458306
1-(2-methoxyethyl)-2-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 71932947
(7R,8aR)-7-(2-methoxyethoxy)-2-(5-methylpyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 125192449
(2S)-1-(2-ethoxyethyl)-2-ethyl-4-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 95332281
(7S,8aS)-7-(cyclopropylmethoxy)-2-[(4-methoxyphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 124794592
(7R,8aS)-2-[(4-methoxyphenyl)methyl]-7-pyrimidin-5-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 124793670
1-(2-methoxyphenyl)-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine
CID 45216724
(3S)-3-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 103885638
7-[(6-methyl-2-pyridinyl)methoxy]-2-(thiophen-3-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 131648149
(7R,8aR)-2-(furan-3-ylmethyl)-7-[(6-methyl-2-pyridinyl)methoxy]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 124520184
1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-ol
CID 63282120
(7S,8aS)-2-(furan-3-ylmethyl)-7-prop-2-enoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 97377941

Frequently Asked Questions

What is the IUPAC name of (7R,8aS)-7-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of (7R,8aS)-7-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 97386228) is (7R,8aS)-7-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for (7R,8aS)-7-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for (7R,8aS)-7-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is COCCO[C@@H]1C[C@H]2CN(Cc3cnn(C)c3)CCN2C1.
What is the InChIKey of (7R,8aS)-7-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is GHOVDAOHUJUXFL-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-17-9-13(8-16-17)10-18-3-4-19-12-15(7-14(19)11-18)21-6-5-20-2/h8-9,14-15H,3-7,10-12H2,1-2H3/t14-,15+/m0/s1.
What are the key properties of (7R,8aS)-7-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
(7R,8aS)-7-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 294.40 g/mol, XLogP of 0.34, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,8aS)-7-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 97386228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).