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

C15H26N4 — CID 110225820

IUPAC(3R)-2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCCn1cc(CN2CC3CCCN3C[C@H]2C)c(C)n1
InChIInChI=1S/C15H26N4/c1-4-19-10-14(13(3)16-19)9-18-11-15-6-5-7-17(15)8-12(18)2/h10,12,15H,4-9,11H2,1-3H3/t12-,15?/m1/s1
InChIKeyINJWRBVZHZPBNK-KEKZHRQWSA-N
MW262.40 g/mol
LogP1.88
Rot. Bonds3

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

(3R)-2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 110225820) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is (3R)-2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name(3R)-2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID110225820
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name(3R)-2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCCn1cc(CN2CC3CCCN3C[C@H]2C)c(C)n1
InChIInChI=1S/C15H26N4/c1-4-19-10-14(13(3)16-19)9-18-11-15-6-5-7-17(15)8-12(18)2/h10,12,15H,4-9,11H2,1-3H3/t12-,15?/m1/s1
InChIKeyINJWRBVZHZPBNK-KEKZHRQWSA-N
XLogP1.88
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of (3R)-2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 110225820) is (3R)-2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for (3R)-2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for (3R)-2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is CCn1cc(CN2CC3CCCN3C[C@H]2C)c(C)n1.
What is the InChIKey of (3R)-2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is INJWRBVZHZPBNK-KEKZHRQWSA-N. The full InChI is InChI=1S/C15H26N4/c1-4-19-10-14(13(3)16-19)9-18-11-15-6-5-7-17(15)8-12(18)2/h10,12,15H,4-9,11H2,1-3H3/t12-,15?/m1/s1.
What are the key properties of (3R)-2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
(3R)-2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 262.40 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 110225820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).