(3-fluorophenyl)-[(1R)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone

C21H19FN2O — CID 93115169

IUPAC(3-fluorophenyl)-[(1R)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
SMILESCc1cccc([C@@H]2c3cccn3CCN2C(=O)c2cccc(F)c2)c1
InChIInChI=1S/C21H19FN2O/c1-15-5-2-6-16(13-15)20-19-9-4-10-23(19)11-12-24(20)21(25)17-7-3-8-18(22)14-17/h2-10,13-14,20H,11-12H2,1H3/t20-/m1/s1
InChIKeyUEZRZMNJQRUJIK-HXUWFJFHSA-N
MW334.39 g/mol
LogP4.18
Rot. Bonds2

About (3-fluorophenyl)-[(1R)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone

(3-fluorophenyl)-[(1R)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone (PubChem CID 93115169) has the molecular formula C21H19FN2O and a molecular weight of 334.39 g/mol. Its IUPAC name is (3-fluorophenyl)-[(1R)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[(1R)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
PubChem CID93115169
Molecular FormulaC21H19FN2O
Molecular Weight334.39 g/mol
Exact Mass334.15
IUPAC Name(3-fluorophenyl)-[(1R)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
SMILESCc1cccc([C@@H]2c3cccn3CCN2C(=O)c2cccc(F)c2)c1
InChIInChI=1S/C21H19FN2O/c1-15-5-2-6-16(13-15)20-19-9-4-10-23(19)11-12-24(20)21(25)17-7-3-8-18(22)14-17/h2-10,13-14,20H,11-12H2,1H3/t20-/m1/s1
InChIKeyUEZRZMNJQRUJIK-HXUWFJFHSA-N
XLogP4.18
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-fluorophenyl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 24859698
[1-[4-(dimethylamino)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(3-fluorophenyl)methanone
CID 42812200
[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 4526644
[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-naphthalen-1-ylmethanone
CID 3318812
3-[1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-oxo-N-propan-2-ylpropanamide
CID 24711887
1-[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(propan-2-ylamino)ethanone
CID 42779338
1-[1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-phenylpropan-1-one
CID 4104891
N-benzyl-1-(3-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 4201134
[(1R)-1-(4-fluorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylphenyl)methanone
CID 93115122
[(1S)-1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylphenyl)methanone
CID 93115137
N-methyl-N-phenyl-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)benzenesulfonamide
CID 55558056
1-(3-fluorophenyl)-N-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 4091467

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[(1R)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[(1R)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone (CID 93115169) is (3-fluorophenyl)-[(1R)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[(1R)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[(1R)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone is Cc1cccc([C@@H]2c3cccn3CCN2C(=O)c2cccc(F)c2)c1.
What is the InChIKey of (3-fluorophenyl)-[(1R)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
The InChIKey is UEZRZMNJQRUJIK-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H19FN2O/c1-15-5-2-6-16(13-15)20-19-9-4-10-23(19)11-12-24(20)21(25)17-7-3-8-18(22)14-17/h2-10,13-14,20H,11-12H2,1H3/t20-/m1/s1.
What are the key properties of (3-fluorophenyl)-[(1R)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
(3-fluorophenyl)-[(1R)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone has a molecular weight of 334.39 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[(1R)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone is sourced from PubChem (CID 93115169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).