[1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-thiophen-2-ylmethanone

C19H18N2OS — CID 42782432

IUPAC[1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-thiophen-2-ylmethanone
SMILESCc1ccccc1C1c2cccn2CCN1C(=O)c1cccs1
InChIInChI=1S/C19H18N2OS/c1-14-6-2-3-7-15(14)18-16-8-4-10-20(16)11-12-21(18)19(22)17-9-5-13-23-17/h2-10,13,18H,11-12H2,1H3
InChIKeyXJHVPBHVMDQVMM-UHFFFAOYSA-N
MW322.43 g/mol
LogP4.10
Rot. Bonds2

About [1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-thiophen-2-ylmethanone

[1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-thiophen-2-ylmethanone (PubChem CID 42782432) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is [1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-thiophen-2-ylmethanone
PubChem CID42782432
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC Name[1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-thiophen-2-ylmethanone
SMILESCc1ccccc1C1c2cccn2CCN1C(=O)c1cccs1
InChIInChI=1S/C19H18N2OS/c1-14-6-2-3-7-15(14)18-16-8-4-10-20(16)11-12-21(18)19(22)17-9-5-13-23-17/h2-10,13,18H,11-12H2,1H3
InChIKeyXJHVPBHVMDQVMM-UHFFFAOYSA-N
XLogP4.10
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylphenyl)-[1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 24859416
[1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-thiophen-2-ylmethanone
CID 42782397
[(1S)-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(4-phenylphenyl)methanone
CID 92955733
N-cyclohexyl-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 3262065
N-tert-butyl-N-[2-[(1R)-1-(2-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 93305598
N-(2-ethylphenyl)-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 5076288
2-methyl-1-(1-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one
CID 42812204
[(1R)-1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylphenyl)methanone
CID 93115122
4-[(1S)-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(2-methylpropyl)-4-oxobutanamide
CID 93143075
[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylphenyl)methanone
CID 37452067
(2-methoxyphenyl)-[1-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 24859265
[1-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[4-methyl-3-(trifluoromethyl)phenyl]methanone
CID 71959510

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-thiophen-2-ylmethanone?
The IUPAC name of [1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-thiophen-2-ylmethanone (CID 42782432) is [1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-thiophen-2-ylmethanone is Cc1ccccc1C1c2cccn2CCN1C(=O)c1cccs1.
What is the InChIKey of [1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-thiophen-2-ylmethanone?
The InChIKey is XJHVPBHVMDQVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-14-6-2-3-7-15(14)18-16-8-4-10-20(16)11-12-21(18)19(22)17-9-5-13-23-17/h2-10,13,18H,11-12H2,1H3.
What are the key properties of [1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-thiophen-2-ylmethanone?
[1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-thiophen-2-ylmethanone has a molecular weight of 322.43 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 42782432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).