(3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[4-(4-methylpyrazol-1-yl)phenyl]methanone

C20H26N4O — CID 71869708

IUPAC(3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[4-(4-methylpyrazol-1-yl)phenyl]methanone
SMILESCCC1CN2CCCC2CN1C(=O)c1ccc(-n2cc(C)cn2)cc1
InChIInChI=1S/C20H26N4O/c1-3-17-13-22-10-4-5-19(22)14-23(17)20(25)16-6-8-18(9-7-16)24-12-15(2)11-21-24/h6-9,11-12,17,19H,3-5,10,13-14H2,1-2H3
InChIKeyZXGRHBZEDXPSIB-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.88
Rot. Bonds3

About (3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[4-(4-methylpyrazol-1-yl)phenyl]methanone

(3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[4-(4-methylpyrazol-1-yl)phenyl]methanone (PubChem CID 71869708) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is (3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[4-(4-methylpyrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name(3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[4-(4-methylpyrazol-1-yl)phenyl]methanone
PubChem CID71869708
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name(3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[4-(4-methylpyrazol-1-yl)phenyl]methanone
SMILESCCC1CN2CCCC2CN1C(=O)c1ccc(-n2cc(C)cn2)cc1
InChIInChI=1S/C20H26N4O/c1-3-17-13-22-10-4-5-19(22)14-23(17)20(25)16-6-8-18(9-7-16)24-12-15(2)11-21-24/h6-9,11-12,17,19H,3-5,10,13-14H2,1-2H3
InChIKeyZXGRHBZEDXPSIB-UHFFFAOYSA-N
XLogP2.88
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[4-(4-methylpyrazol-1-yl)phenyl]methanone with MolForge

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Related Compounds

[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-[4-(4-methylpyrazol-1-yl)phenyl]methanone
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CID 95295766
[4-(4-methylpyrazol-1-yl)phenyl]-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95295765
[2-(2-hydroxyethyl)piperidin-1-yl]-[4-(4-methylpyrazol-1-yl)phenyl]methanone
CID 110895266
[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-[4-(4-methylpyrazol-1-yl)phenyl]methanone
CID 128984894
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-[4-(4-methylpyrazol-1-yl)phenyl]methanone
CID 124569323
(2R)-4-[4-(4-methylpyrazol-1-yl)benzoyl]morpholine-2-carboxylic acid
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CID 56543013
N-[2-(cycloheptylamino)ethyl]-4-(4-methylpyrazol-1-yl)benzamide
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[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[1-(4-chlorophenyl)pyrazol-4-yl]methanone
CID 129403659
2-amino-1-[4-(4-methylpyrazol-1-yl)phenyl]ethanone
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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[4-(4-methylpyrazol-1-yl)phenyl]methanone?
The IUPAC name of (3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[4-(4-methylpyrazol-1-yl)phenyl]methanone (CID 71869708) is (3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[4-(4-methylpyrazol-1-yl)phenyl]methanone.
What is the SMILES notation for (3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[4-(4-methylpyrazol-1-yl)phenyl]methanone?
The canonical SMILES for (3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[4-(4-methylpyrazol-1-yl)phenyl]methanone is CCC1CN2CCCC2CN1C(=O)c1ccc(-n2cc(C)cn2)cc1.
What is the InChIKey of (3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[4-(4-methylpyrazol-1-yl)phenyl]methanone?
The InChIKey is ZXGRHBZEDXPSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-3-17-13-22-10-4-5-19(22)14-23(17)20(25)16-6-8-18(9-7-16)24-12-15(2)11-21-24/h6-9,11-12,17,19H,3-5,10,13-14H2,1-2H3.
What are the key properties of (3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[4-(4-methylpyrazol-1-yl)phenyl]methanone?
(3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[4-(4-methylpyrazol-1-yl)phenyl]methanone has a molecular weight of 338.46 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[4-(4-methylpyrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 71869708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).