(4-chlorophenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone

C15H14ClN3O2 — CID 90636104

IUPAC(4-chlorophenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCC(Oc2cnccn2)C1
InChIInChI=1S/C15H14ClN3O2/c16-12-3-1-11(2-4-12)15(20)19-8-5-13(10-19)21-14-9-17-6-7-18-14/h1-4,6-7,9,13H,5,8,10H2
InChIKeyMRNSYVAYLOJKRT-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.42
Rot. Bonds3

About (4-chlorophenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone

(4-chlorophenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone (PubChem CID 90636104) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is (4-chlorophenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
PubChem CID90636104
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name(4-chlorophenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCC(Oc2cnccn2)C1
InChIInChI=1S/C15H14ClN3O2/c16-12-3-1-11(2-4-12)15(20)19-8-5-13(10-19)21-14-9-17-6-7-18-14/h1-4,6-7,9,13H,5,8,10H2
InChIKeyMRNSYVAYLOJKRT-UHFFFAOYSA-N
XLogP2.42
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(dimethylamino)phenyl]-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636200
(4-ethoxyphenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636090
N-(4-chlorophenyl)-3-pyrazin-2-yloxypyrrolidine-1-carboxamide
CID 90636300
1H-indol-6-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 91626672
(2-chloro-6-fluorophenyl)-[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone
CID 100753127
3-pyrazin-2-yloxypyrrolidine-1-carboxylic acid
CID 134496966
(4-methoxyphenyl)-(4-pyrazin-2-yloxypiperidin-1-yl)methanone
CID 90558989
[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100753458
[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100753463
[4-(imidazol-1-ylmethyl)phenyl]-[(3R)-3-pyrazin-2-yloxypiperidin-1-yl]methanone
CID 100644530
naphthalen-1-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636125
5-(4-pyrazin-2-yloxypiperidine-1-carbonyl)pyran-2-one
CID 90559065

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone (CID 90636104) is (4-chlorophenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone is O=C(c1ccc(Cl)cc1)N1CCC(Oc2cnccn2)C1.
What is the InChIKey of (4-chlorophenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone?
The InChIKey is MRNSYVAYLOJKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c16-12-3-1-11(2-4-12)15(20)19-8-5-13(10-19)21-14-9-17-6-7-18-14/h1-4,6-7,9,13H,5,8,10H2.
What are the key properties of (4-chlorophenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone?
(4-chlorophenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone has a molecular weight of 303.75 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 90636104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).