(3R,7R,8aS)-2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol

C15H26N4O — CID 95857089

IUPAC(3R,7R,8aS)-2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
SMILESCCn1ncc(CN2C[C@@H]3C[C@@H](O)CN3C[C@H]2C)c1C
InChIInChI=1S/C15H26N4O/c1-4-19-12(3)13(6-16-19)8-17-9-14-5-15(20)10-18(14)7-11(17)2/h6,11,14-15,20H,4-5,7-10H2,1-3H3/t11-,14+,15-/m1/s1
InChIKeyCKZHHNXJTLCSAB-BYCMXARLSA-N
MW278.40 g/mol
LogP0.85
Rot. Bonds3

About (3R,7R,8aS)-2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol

(3R,7R,8aS)-2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol (PubChem CID 95857089) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is (3R,7R,8aS)-2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol.

Molecular Properties

Compound Name(3R,7R,8aS)-2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
PubChem CID95857089
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name(3R,7R,8aS)-2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
SMILESCCn1ncc(CN2C[C@@H]3C[C@@H](O)CN3C[C@H]2C)c1C
InChIInChI=1S/C15H26N4O/c1-4-19-12(3)13(6-16-19)8-17-9-14-5-15(20)10-18(14)7-11(17)2/h6,11,14-15,20H,4-5,7-10H2,1-3H3/t11-,14+,15-/m1/s1
InChIKeyCKZHHNXJTLCSAB-BYCMXARLSA-N
XLogP0.85
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R,7R,8aS)-2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,7R,8aS)-2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
The IUPAC name of (3R,7R,8aS)-2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol (CID 95857089) is (3R,7R,8aS)-2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol.
What is the SMILES notation for (3R,7R,8aS)-2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
The canonical SMILES for (3R,7R,8aS)-2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol is CCn1ncc(CN2C[C@@H]3C[C@@H](O)CN3C[C@H]2C)c1C.
What is the InChIKey of (3R,7R,8aS)-2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
The InChIKey is CKZHHNXJTLCSAB-BYCMXARLSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-19-12(3)13(6-16-19)8-17-9-14-5-15(20)10-18(14)7-11(17)2/h6,11,14-15,20H,4-5,7-10H2,1-3H3/t11-,14+,15-/m1/s1.
What are the key properties of (3R,7R,8aS)-2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol?
(3R,7R,8aS)-2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol has a molecular weight of 278.40 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7R,8aS)-2-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol is sourced from PubChem (CID 95857089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).